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Optically induced charge-transfer in donor-acceptor-substituted p- and m- C2B10H12 carboranes (2024)
Journal Article
Wu, L., Holzapfel, M., Schmiedel, A., Peng, F., Moos, M., Mentzel, P., …Ji, L. (2024). Optically induced charge-transfer in donor-acceptor-substituted p- and m- C2B10H12 carboranes. Nature Communications, 15(1), Article 3005. https://doi.org/10.1038/s41467-024-47384-4

Icosahedral carboranes, C2B10H12, have long been considered to be aromatic but the extent of conjugation between these clusters and their substituents is still being debated. m- and p-Carboranes are compared with m- and p-phenylenes as conjugated bri... Read More about Optically induced charge-transfer in donor-acceptor-substituted p- and m- C2B10H12 carboranes.

Optically induced charge-transfer in donor-acceptor-substituted p - and m - C 2 B 10 H 12 carboranes (2024)
Journal Article
Wu, L., Holzapfel, M., Schmiedel, A., Peng, F., Moos, M., Mentzel, P., …Ji, L. (2024). Optically induced charge-transfer in donor-acceptor-substituted p - and m - C 2 B 10 H 12 carboranes. Nature Communications, 15(1), Article 3005. https://doi.org/10.1038/s41467-024-47384-4

Icosahedral carboranes, C2B10H12, have long been considered to be aromatic but the extent of conjugation between these clusters and their substituents is still being debated. m- and p-Carboranes are compared with m- and p-phenylenes as conjugated bri... Read More about Optically induced charge-transfer in donor-acceptor-substituted p - and m - C 2 B 10 H 12 carboranes.

Structural Diversity in Cyclometalated Diiridium(III) Complexes with Bridging syn and anti μ2‐Oxamidato and μ2‐Dithioxamidato Ligands (2023)
Journal Article
M'hamedi, A., Batsanov, A. S., Fox, M. A., Aguilar, J. A., & Bryce, M. R. (2023). Structural Diversity in Cyclometalated Diiridium(III) Complexes with Bridging syn and anti μ2‐Oxamidato and μ2‐Dithioxamidato Ligands. European Journal of Inorganic Chemistry, https://doi.org/10.1002/ejic.202300423

Six new diiridium complexes containing 2-methyl-6-phenylpyridyl as the cyclometalating ligand with a μ2-oxamidato or a μ2-dithioxamidato ligand as the bridge have been synthesized in 60–73 % yields. These complexes were revealed by multinuclear NMR s... Read More about Structural Diversity in Cyclometalated Diiridium(III) Complexes with Bridging syn and anti μ2‐Oxamidato and μ2‐Dithioxamidato Ligands.

Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical (2023)
Journal Article
Andrews, J. L., Yufit, D. S., McCabe, J. F., Fox, M. A., & Steed, J. W. (2023). Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical. Crystal Growth and Design, 23(4), 2628-2633. https://doi.org/10.1021/acs.cgd.2c01464

A porous, nonsolvated polymorph of the voltage-gated sodium channel blocker mexiletine hydrochloride absorbs iodine vapor to give a pharmaceutical cocrystal incorporating an I2Cl– anion that forms a halogen−π interaction with the mexiletine cations.... Read More about Vapor Sorption and Halogen-Bond-Induced Solid-Form Rearrangement of a Porous Pharmaceutical.

Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups (2023)
Journal Article
Davidson, R., Hsu, Y., Fox, M. A., Aguilar, J. A., Yufit, D., & Beeby, A. (2023). Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups. Inorganic Chemistry, 62(6), 2793-2805. https://doi.org/10.1021/acs.inorgchem.2c03934

Emissive compounds with long emission lifetimes (μs to ms) in the visible region are of interest for a range of applications, from oxygen sensing to cellular imaging. The emission behavior of Ir(ppy)2(acac) complexes (where ppy is the 2-phenylpyridyl... Read More about Tuning Emission Lifetimes of Ir(C^N)2(acac) Complexes with Oligo(phenyleneethynylene) Groups.

Iridium‐Catalysed C−H Borylation of Fluoroarenes: Insights into the Balance between Steric and Electronic Control of Regioselectivity (2022)
Journal Article
Ding, M., Reuven, J. A., Hones, A. C., Fox, M. A., & Steel, P. G. (2022). Iridium‐Catalysed C−H Borylation of Fluoroarenes: Insights into the Balance between Steric and Electronic Control of Regioselectivity. European Journal of Organic Chemistry, 2022(47), https://doi.org/10.1002/ejoc.202201005

The iridium catalysed C−H borylation of polyfluorinated arenes and heteroarenes occurs rapidly and efficiently. As with other borylation reactions, whilst steric parameters dominate, an underlying electronic influence on reaction selectivity can be o... Read More about Iridium‐Catalysed C−H Borylation of Fluoroarenes: Insights into the Balance between Steric and Electronic Control of Regioselectivity.

Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons (2022)
Journal Article
Edkins, R. M., Hsu, Y., Fox, M. A., Yufit, D., Beeby, A., & Davidson, R. J. (2022). Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons. Organometallics, https://doi.org/10.1021/acs.organomet.2c00292

Bis-heteroleptic cyclometalated iridium complexes of the form Ir(La)2(acac), where La is a substituted 2-phenylpyridine derivative and acac is an acetylacetonato ligand, are a useful class of luminescent organometallic complexes for a range of applic... Read More about Divergent Approach for Tris-Heteroleptic Cyclometalated Iridium Complexes Using Triisopropylsilylethynyl-Substituted Synthons.

Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane (2022)
Journal Article
Ji, L., Riese, S., Schmiedel, A., Holzapfel, M., Fest, M., Nitsch, J., …Marder, T. B. (2022). Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane. Chemical Science, 13, 5205-5219. https://doi.org/10.1039/d1sc06867a

Reversible conversion between excited-states plays an important role in many photophysical phenomena. Using 1-(pyren-2′-yl)-o-carborane as a model, we studied the photoinduced reversible charge-transfer (CT) process and the thermodynamic equilibrium... Read More about Thermodynamic equilibrium between locally excited and charge-transfer states through thermally activated charge transfer in 1-(pyren-2′-yl)-o-carborane.

Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide (2021)
Journal Article
Chambers, L. I., Yufit, D. S., Fox, M. A., Musa, O. M., & Steed, J. W. (2022). Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide. Chemical Communications, 58(1), 80-83. https://doi.org/10.1039/d1cc06047c

The structure of the commercially important polyvinylpyrrolidone-hydrogen peroxide complex can be understood by reference to the co-crystal structure of a hydrogen peroxide complex and its mixed hydrates of a two-monomer unit model compound, bisVP·2H... Read More about Structure and hydration of polyvinylpyrrolidone-hydrogen peroxide.

Carborane photochromism: A fatigue resistant carborane switch (2021)
Journal Article
Li, C., Aldred, M. P., Harder, R. A., Chen, Y., Yufit, D. S., Zhu, M., & Fox, M. A. (2021). Carborane photochromism: A fatigue resistant carborane switch. Chemical Communications, 57(74), 9466-9469. https://doi.org/10.1039/d1cc03248h

A dithienylethene molecule involving carborane clusters shows remarkable fatigue resistance and high contrast visual colour changes when irradiated with alternating ultraviolet and visible light. The fluorescence of this assembly can be switched on a... Read More about Carborane photochromism: A fatigue resistant carborane switch.

Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials (2021)
Journal Article
Hempe, M., Kukhta, N. A., Danos, A., Fox, M. A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2021). Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials. Chemistry of Materials, 33(9), 3066-3080. https://doi.org/10.1021/acs.chemmater.0c03783

We investigate a series of D–A molecules consisting of spiro[acridan-9,9′-fluorene] as the donor and 2-phenylenepyrimidine as the acceptor. In two of the materials, a spiro center effectively electronically isolates the D unit from (consequently) opt... Read More about Vibrational Damping Reveals Vibronic Coupling in Thermally Activated Delayed Fluorescence Materials.

Nonlinear optical properties of meso-Tetra(fluorenyl)porphyrins peripherally functionalized with one to four ruthenium alkynyl substituents (2021)
Journal Article
Zhang, X., Shi, L., Fox, M. A., Barlow, A., Morshedi, M., Cifuentes, M. P., …Paul-Roth, C. O. (2021). Nonlinear optical properties of meso-Tetra(fluorenyl)porphyrins peripherally functionalized with one to four ruthenium alkynyl substituents. Dyes and Pigments, 188, Article 109155. https://doi.org/10.1016/j.dyepig.2021.109155

The synthesis of a series of four porphyrin derivatives based on a meso-tetrafluorenylporphyrin core functionalized with one to four trans-chlorobis(dppe)ruthenium alkynyl units (dppe = 1,2-bis(diphenylphosphino)ethane) at the periphery, together wit... Read More about Nonlinear optical properties of meso-Tetra(fluorenyl)porphyrins peripherally functionalized with one to four ruthenium alkynyl substituents.

Exploiting trifluoromethyl substituents for tuning orbital character of singlet and triplet states to increase the rate of thermally activated delayed fluorescence (2020)
Journal Article
Ward, J. S., Danos, A., Stachelek, P., Fox, M. A., Batsanov, A. S., Monkman, A. P., & Bryce, M. R. (2020). Exploiting trifluoromethyl substituents for tuning orbital character of singlet and triplet states to increase the rate of thermally activated delayed fluorescence. Materials Chemistry Frontiers, 4(12), https://doi.org/10.1039/d0qm00429d

Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation (2020)
Journal Article
Hempe, M., Harrison, A. K., Ward, J. S., Batsanov, A. S., Fox, M. A., Dias, F. B., & Bryce, M. R. (2021). Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation. Journal of Organic Chemistry, 86(1), 429-445. https://doi.org/10.1021/acs.joc.0c02174

The synthetic methodology to covalently link donors to form cyclophane-based thermally activated delayed fluorescence (TADF) molecules is presented. These are the first reported examples of TADF cyclophanes with “electronically innocent” bridges betw... Read More about Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation.

HFO-1234yf as a CF3-building block: Synthesis and Chemistry of CF­3-ynones (2020)
Journal Article
Murray, B. J., Marsh, T. G., Yufit, D. S., Fox, M. A., Harsanyi, A., Boulton, L. T., & Sandford, G. (2020). HFO-1234yf as a CF3-building block: Synthesis and Chemistry of CF­3-ynones. European Journal of Organic Chemistry, 2020(39), 6236-6244. https://doi.org/10.1002/ejoc.202001071

Reaction of low cost, readily available 4th generation refrigerant gas 2,3,3,3‐tetrafluoropropene (HFO‐1234yf) with lithium diisopropylamide (LDA) leads to formation of lithium 3,3,3‐trifluoropropynide, addition of which to a range of aldehydes forme... Read More about HFO-1234yf as a CF3-building block: Synthesis and Chemistry of CF­3-ynones.

Metallacarborane Assemblies as Effective Antimicrobial Agents, Including a Highly Potent Anti-MRSA Agent (2020)
Journal Article
Romero, I., Martinez-Medina, M., Camprubí-Font, C., Bennour, I., Moreno, D., Martínez-Martínez, L., …Viñas, C. (2020). Metallacarborane Assemblies as Effective Antimicrobial Agents, Including a Highly Potent Anti-MRSA Agent. Organometallics, 39(23), 4253-4264. https://doi.org/10.1021/acs.organomet.0c00315

The salts Na[ROC(O)Ph], Na[1-ROC(O)-1,12-C2B10H11], K2[1,4-(ROC(O))2-C6H4], and K2[1,12-(ROC(O))2-1,12-C2B10H10], where R is the cobaltabis(dicarbollide)-diethylene glycol group [3,3′-Co(8-(OCH2CH2OCH2CH2)-1,2-C2B9H10)(1′,2′-C2B9H11)]−, were synthesi... Read More about Metallacarborane Assemblies as Effective Antimicrobial Agents, Including a Highly Potent Anti-MRSA Agent.

Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands (2020)
Journal Article
Benjamin, H., Zheng, Y., Kozhevnikov, V. N., Siddle, J. S., O'Driscoll, L. J., Fox, M. A., …Bryce, M. R. (2020). Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands. Dalton Transactions, 49(7), 2190-2208. https://doi.org/10.1039/c9dt04672k

Five new neutral heteroleptic iridium(III) complexes IrL2(pic) (2–6) based on the archetypical blue emitter FIrpic have been synthesised. The cyclometallating ligands L are derived from 2-(2,6-F2-3-pyridyl)-4-mesitylpyridine (7), 2-(3-cyano-2,6-F2-ph... Read More about Unusual dual-emissive heteroleptic iridium complexes incorporating TADF cyclometalating ligands.

Fluorenylporphyrins functionalized by electrochromic ruthenium units as redox-triggered fluorescence switches (2019)
Journal Article
Zhang, X., Abid, S., Shi, L., Williams, J. G., Fox, M. A., Miomandre, F., …Paul-Roth, C. O. (2019). Fluorenylporphyrins functionalized by electrochromic ruthenium units as redox-triggered fluorescence switches. Dalton Transactions, 48(31), 11897-11911. https://doi.org/10.1039/c9dt02087j

Two dyads containing tris- and tetrakis-meso-fluorenyl-substituted porphyrin and ethynylruthenium units, 1 and 2, were investigated by emission spectro-electrochemical (SEC) methods for their potential use as fluorescence switches. The ruthenium grou... Read More about Fluorenylporphyrins functionalized by electrochromic ruthenium units as redox-triggered fluorescence switches.

Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry (2019)
Journal Article
Parker, D., Suturina, E., Harnden, A., Batsanov, A., Fox, M., Mason, K., …Chilton, N. (2019). Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry. Angewandte Chemie, 131(30), 10936-10400. https://doi.org/10.1002/anie.201906031

In two closely related series of eight‐coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the magnetic susceptibility te... Read More about Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry.

Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor–Acceptor Systems (2019)
Journal Article
Ward, J. S., Nobuyasu, R. S., Fox, M. A., Aguilar, J. A., Hall, D., Batsanov, A. S., …Bryce, M. R. (2019). Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor–Acceptor Systems. Journal of Organic Chemistry, 84(7), 3801-3816. https://doi.org/10.1021/acs.joc.8b02848

Thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP) are known to occur in organic D–A–D and D–A systems where the donor group contains the phenothiazine unit and the acceptor is dibenzothiophene-S,S-dioxide. Thi... Read More about Impact of Methoxy Substituents on Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in All-Organic Donor–Acceptor Systems.

Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence (2018)
Journal Article
Ward, J. S., Nobuyasu, R. S., Fox, M. A., Batsanov, A. S., Santos, J., Dias, F. B., & Bryce, M. R. (2018). Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence. Journal of Organic Chemistry, 83(23), 14431-14442. https://doi.org/10.1021/acs.joc.8b02187

The synthesis of 1-methylphenoxazine via CO2-directed lithiation chemistry is reported. This electron donor was coupled with 2,8-dibenzothiophene-S,S-dioxide with Buchwald–Hartwig chemistry to give a new D–A–D charge-transfer fluorescent molecule 1b.... Read More about Bond Rotations and Heteroatom Effects in Donor-Acceptor-Donor Molecules: Implications for Thermally Activated Delayed Fluorescence and Room Temperature Phosphorescence.

Selective signalling of glyphosate in water using europium luminescence (2018)
Journal Article
Jennings, L. B., Shuvaev, S., Fox, M. A., Pal, R., & Parker, D. (2018). Selective signalling of glyphosate in water using europium luminescence. Dalton Transactions, 47(45), 16145-16154. https://doi.org/10.1039/c8dt03823f

A series of four emissive europium complexes has been evaluated for the binding of glyphosate in various aqueous media, including river water and grain extracts. Binding selectivity toward inorganic phosphate and bicarbonate was enhanced by measuring... Read More about Selective signalling of glyphosate in water using europium luminescence.

Monitoring the ADP/ATP ratio via induced circularly‐polarised europium luminescence (2018)
Journal Article
Parker, D., Shuvaev, S., & Fox, M. A. (2018). Monitoring the ADP/ATP ratio via induced circularly‐polarised europium luminescence. Angewandte Chemie International Edition, 57(25), 7488-7492. https://doi.org/10.1002/anie.201801248

A series of three europium complexes is reported bearing picolyl amine moieties with different substituents, that possess differing binding affinities towards Zn2+ and three nucleotides ‐ AMP, ADP and ATP. A large increase of the total emission inten... Read More about Monitoring the ADP/ATP ratio via induced circularly‐polarised europium luminescence.

Enhanced selectivity for Mg2+ with a phosphinate-based chelate: APDAP versus APTRA (2018)
Journal Article
Walter, E. R., Fox, M. A., Parker, D., & Williams, J. G. (2018). Enhanced selectivity for Mg2+ with a phosphinate-based chelate: APDAP versus APTRA. Dalton Transactions, 47(6), 1755-1763. https://doi.org/10.1039/c7dt04698g

o-Aminophenol-N,N,O-triacetate, known as APTRA, is one of the most well-established ligands for targeting magnesium ions but, like other aminocarboxylate ligands, it binds Ca2+ much more strongly than Mg2+. The synthesis of an O-phosphinate analogue... Read More about Enhanced selectivity for Mg2+ with a phosphinate-based chelate: APDAP versus APTRA.

Role of the Diphosphine Chelate in Emissive, Charge-Neutral Iridium(III) Complexes (2017)
Journal Article
Liao, J., Devereux, L. R., Fox, M. A., Yang, C., Chiang, Y., Chang, C., …Chi, Y. (2018). Role of the Diphosphine Chelate in Emissive, Charge-Neutral Iridium(III) Complexes. Chemistry - A European Journal, 24(3), 624-635. https://doi.org/10.1002/chem.201703482

A class of neutral tris-bidentate Ir(III) metal complexes incorporating a diphosphine as a chelate is prepared and characterized here for the first time. Treatment of [Ir(dppb)(tht)Cl3] (1) with fppzH afforded the dichloride complexes, trans-(Cl,Cl)[... Read More about Role of the Diphosphine Chelate in Emissive, Charge-Neutral Iridium(III) Complexes.

Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs (2017)
Journal Article
Benjamin, H., Fox, M. A., Batsanov, A. S., Al-Attar, H. A., Li, C., Ren, Z., …Bryce, M. R. (2017). Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs. Dalton Transactions, 46, 10996-11007. https://doi.org/10.1039/c7dt02289a

A series of blue iridium(III) complexes (12–15) comprising sulfonyl-functionalised phenylpyridyl cyclometalating ligands and pyridylpyrazole N^N ligands are reported, with an X-ray crystal structure obtained for 12. The complexes are highly emissive... Read More about Pyridylpyrazole N^N Ligands Combined with Sulfonyl-Functionalised Cyclometalating Ligands for Blue-Emitting Iridium(III) Complexes and Solution-Processable PhOLEDs.

Geometries of 11-vertex carborane monoanion radicals with 2n+3 skeletal electron counts (2017)
Journal Article
Patel, N., Oliva-Enrich, J., & Fox, M. (2017). Geometries of 11-vertex carborane monoanion radicals with 2n+3 skeletal electron counts. European Journal of Inorganic Chemistry, 2017(38-39), 4568-4574. https://doi.org/10.1002/ejic.201700419

While geometries of 12- and 13-vertex dicarbaborane (carborane) radicals with rare 2n+3 skeletal electrons have been determined elsewhere, the geometries of the 11-vertex dicarbaborane monoanion radicals with 2n+3 SE are established here for the firs... Read More about Geometries of 11-vertex carborane monoanion radicals with 2n+3 skeletal electron counts.

Bis-tridentate Ir(III) Metal Phosphors for Efficient Deep-Blue Organic Light-Emitting Diodes (2017)
Journal Article
Kuo, H., Chen, Y., Devereux, L. R., Wu, C., Fox, M. A., Kuei, C., …Lee, G. (2017). Bis-tridentate Ir(III) Metal Phosphors for Efficient Deep-Blue Organic Light-Emitting Diodes. Advanced Materials, 29(33), Article 1702464. https://doi.org/10.1002/adma.201702464

Emissive Ir(III) metal complexes possessing two tridentate chelates (bis-tridentate) are known to be more robust compared to those with three bidentate chelates (tris-bidentate). Here, the deep-blue-emitting, bis-tridentate Ir(III) metal phosphors be... Read More about Bis-tridentate Ir(III) Metal Phosphors for Efficient Deep-Blue Organic Light-Emitting Diodes.

The Contributions of Molecular Vibrations and Higher Triplet Levels to the Intersystem Crossing Mechanism in Metal-Free Organic Emitters (2017)
Journal Article
Huang, R., Avó, J., Northey, T., Chaning-Pearce, E., dos Santos, P. L., Ward, J. S., …Dias, F. B. (2017). The Contributions of Molecular Vibrations and Higher Triplet Levels to the Intersystem Crossing Mechanism in Metal-Free Organic Emitters. Journal of Materials Chemistry C Materials for optical and electronic devices, 5(25), 6269-6280. https://doi.org/10.1039/c7tc01958k

Intense, simultaneous, room temperature phosphorescence (RTP) and thermally activated delayed fluorescence (TADF) is observed in a series of donor-acceptor-donor (D–A–D) molecules. This dual-luminescence is stronger in the “angular” isomers, compared... Read More about The Contributions of Molecular Vibrations and Higher Triplet Levels to the Intersystem Crossing Mechanism in Metal-Free Organic Emitters.

New Blatter-type radicals from a bench-stable carbene (2017)
Journal Article
Grant, J. A., Lu, Z., Tucker, D. E., Hockin, B. M., Yufit, D. S., Fox, M. A., …O'Donoghue, A. C. (2017). New Blatter-type radicals from a bench-stable carbene. Nature Communications, 8, Article 15088. https://doi.org/10.1038/ncomms15088

Stable benzotriazinyl radicals (Blatter’s radicals) recently attracted considerable interest as building blocks for functional materials. The existing strategies to derivatize Blatter’s radicals are limited, however, and synthetic routes are complex.... Read More about New Blatter-type radicals from a bench-stable carbene.

Luminescent Pt(II) complexes featuring imidazolylidene–pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications (2017)
Journal Article
Tseng, C., Fox, M., Liao, J., Ku, C., Sie, Z., Chang, C., …Chi, Y. (2017). Luminescent Pt(II) complexes featuring imidazolylidene–pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications. Journal of Materials Chemistry C Materials for optical and electronic devices, 5(6), 1420-1435. https://doi.org/10.1039/c6tc05154e

Pt(II) complexes bearing imidazolylidene–pyridylidene (impy) and dianionic biazolate chelates were synthesized, for which the end products depend on the alkyl substituents of the impy chelate. Treatment of Pt(DMSO)2Cl2 with dimethyl substituted imida... Read More about Luminescent Pt(II) complexes featuring imidazolylidene–pyridylidene and dianionic bipyrazolate: from fundamentals to OLED fabrications.

Bright Green PhOLEDs Using Cyclometalated Diiridium(III) Complexes with Bridging Oxamidato Ligands as Phosphorescent Dopants (2017)
Journal Article
M’hamedi, A., Fox, M. A., Batsanov, A. S., Al-Attar, H. A., Monkman, A. P., & Bryce, M. R. (2017). Bright Green PhOLEDs Using Cyclometalated Diiridium(III) Complexes with Bridging Oxamidato Ligands as Phosphorescent Dopants. Journal of Materials Chemistry C Materials for optical and electronic devices, 5(27), 6777-6789. https://doi.org/10.1039/c7tc00628d

In contrast to monoiridium complexes, the study of diiridium complexes as dopants in phosphorescent organic light-emitting devices (PhOLEDs) is largely unexplored. We now describe the syntheses, detailed NMR analyses, X-ray crystal structures and opt... Read More about Bright Green PhOLEDs Using Cyclometalated Diiridium(III) Complexes with Bridging Oxamidato Ligands as Phosphorescent Dopants.

Platinum(II) complexes of some unsymmetrical diphosphenes (2016)
Journal Article
Dillon, K., Fox, M., Gibson, V., Goodwin, H., & Sequiera, L. (2017). Platinum(II) complexes of some unsymmetrical diphosphenes. Journal of Organometallic Chemistry, 830, 113-119. https://doi.org/10.1016/j.jorganchem.2016.10.005

Reaction of the unsymmetrical diphosphene Ar*P=PArF1 (Ar* = 2,4,6-tBu3C6H2, ArF = 2,4,6-(CF3)3C6H2) with the dimeric platinum(II) species trans-[Pt(PEt3)Cl(μ-Cl]2 led initially to the formation of two different monomeric Pt(II) complexes trans-[Pt(PE... Read More about Platinum(II) complexes of some unsymmetrical diphosphenes.

Biotransformation of fluorophenyl pyridine carboxylic acids by the model fungus Cunninghamella elegans (2016)
Journal Article
Palmer-Brown, W., Dunne, B., Ortin, Y., Fox, M. A., Sandford, G., & Murphy, C. D. (2016). Biotransformation of fluorophenyl pyridine carboxylic acids by the model fungus Cunninghamella elegans. Xenobiotica, 47(9), 763-770. https://doi.org/10.1080/00498254.2016.1227109

1. Fluorine plays a key role in the design of new drugs and recent FDA approvals included two fluorinated drugs, tedizolid phosphate and vorapaxar, both of which contain the fluorophenyl pyridyl moiety. 2. To investigate the likely phase-I (oxidative... Read More about Biotransformation of fluorophenyl pyridine carboxylic acids by the model fungus Cunninghamella elegans.

Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes (2016)
Journal Article
Benjamin, H., Zheng, Y., Batsanov, A., Fox, M., Al-Attar, H., Monkman, A., & Bryce, M. (2016). Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes. Inorganic Chemistry, 55(17), 8612-8627. https://doi.org/10.1021/acs.inorgchem.6b01179

The synthesis is reported of a series of blue-emitting heteroleptic iridium complexes with phenylpyridine (ppy) ligands substituted with sulfonyl, fluorine, and/or methoxy substituents on the phenyl ring and a picolinate (pic) ancillary ligand. Some... Read More about Sulfonyl-Substituted Heteroleptic Cyclometalated Iridium(III) Complexes as Blue Emitters for Solution-Processable Phosphorescent Organic Light-Emitting Diodes.

The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices (2016)
Journal Article
Dias, F., Santos, J., Graves, D., Data, P., Nobuyasu, R., Fox, M., …Monkman, A. (2016). The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices. Advanced Science, 3(12), Article 1600080. https://doi.org/10.1002/advs.201600080

Here, a comprehensive photophysical investigation of a the emitter molecule DPTZ-DBTO2, showing thermally activated delayed fluorescence (TADF), with near-orthogonal electron donor (D) and acceptor (A) units is reported. It is shown that DPTZ-DBTO2 h... Read More about The Role of Local Triplet Excited States and D-A Relative Orientation in Thermally Activated Delayed Fluorescence: Photophysics and Devices.

Bis-Tridentate Iridium(III) Phosphors Bearing Functional 2-Phenyl-6-(imidazol-2-ylidene)pyridine and 2-(Pyrazol-3-yl)-6-phenylpyridine Chelates for Efficient OLEDs (2016)
Journal Article
Lin, J., Chau, N., Liao, J., Wong, W., Lu, C., Sie, Z., …Chi, Y. (2016). Bis-Tridentate Iridium(III) Phosphors Bearing Functional 2-Phenyl-6-(imidazol-2-ylidene)pyridine and 2-(Pyrazol-3-yl)-6-phenylpyridine Chelates for Efficient OLEDs. Organometallics, 35(11), 1813-1824. https://doi.org/10.1021/acs.organomet.6b00205

Proligands to the monoanionic tridentate chelate 4-(tert-butyl)-2-(2,4-difluorophenyl)-6-(3-isopropyl-imidazol-2-ylidene)pyridine ((phpyim-H2)PF6) and dianionic tridentate chelates derived from functional 2-pyrazol-3-yl-6-phenylpyridine chelates, i.e... Read More about Bis-Tridentate Iridium(III) Phosphors Bearing Functional 2-Phenyl-6-(imidazol-2-ylidene)pyridine and 2-(Pyrazol-3-yl)-6-phenylpyridine Chelates for Efficient OLEDs.

Tethered N-heterocyclic carbene–carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium (2016)
Journal Article
Holmes, J., Pask, C., Fox, M., & Willans, C. (2016). Tethered N-heterocyclic carbene–carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium. Chemical Communications, 52(38), 6443-6446. https://doi.org/10.1039/c6cc01650b

Four brand new hybrid ligands combining an N-heterocyclic carbene tethered with two isomeric nido-dicarbaundecaborane dianions, a neutral closo-dicarbadodecaborane or a closo-dicarbadodecaborane anion are described. Versatile coordination of the liga... Read More about Tethered N-heterocyclic carbene–carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium.

Induced europium CPL for the selective signalling of phosphorylated amino-acids and O-phosphorylated hexapeptides (2016)
Journal Article
Neil, E., Pal, R., Fox, M., & Parker, D. (2016). Induced europium CPL for the selective signalling of phosphorylated amino-acids and O-phosphorylated hexapeptides. Dalton Transactions, 45(20), 8355-8366. https://doi.org/10.1039/c6dt01212d

Two bright, europium(III) complexes based on an achiral heptadentate triazacyclononane ligand bearing two strongly absorbing chromophores have been evaluated for the selective emission and CPL signalling of various chiral O-phosphono-anions. Binding... Read More about Induced europium CPL for the selective signalling of phosphorylated amino-acids and O-phosphorylated hexapeptides.

Substituent Effects on the Fluorescence Properties of ortho-Carbor­anes: Unusual Emission Behaviour in C-(2′-Pyridyl)-ortho-carboranes (2016)
Journal Article
Böhling, L., Brockhinke, A., Kahlert, J., Weber, L., Harder, R., Yufit, D., …Fox, M. (2016). Substituent Effects on the Fluorescence Properties of ortho-Carbor­anes: Unusual Emission Behaviour in C-(2′-Pyridyl)-ortho-carboranes. European Journal of Inorganic Chemistry, 2016(3), 403-412. https://doi.org/10.1002/ejic.201501284

Seventeen compounds including the parent ortho-, meta- and para-carboranes and derivatives of ortho-carborane were investigated for luminescence in cyclohexane and dichloromethane solutions. Fifteen of these carboranes revealed very weak emissions in... Read More about Substituent Effects on the Fluorescence Properties of ortho-Carbor­anes: Unusual Emission Behaviour in C-(2′-Pyridyl)-ortho-carboranes.

Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes (2015)
Journal Article
Liao, J., Chi, Y., Sie, Z., Ku, C., Chang, C., Fox, M., …Lee, G. (2015). Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes. Inorganic Chemistry, 54(22), 10811-10821. https://doi.org/10.1021/acs.inorgchem.5b01835

A series of three charge-neutral Ir(III) complexes bearing both neutral chelating ligands 4,4′-di-t-butyl-2,2′-bipyridine (dtbbpy) and monoanionic cyclometalated ligands derived from 2-phenylpyridine (ppyH), together with either two monoanionic ligan... Read More about Ir(III)-Based Phosphors with Bipyrazolate Ancillaries; Rational Design, Photophysics, and Applications in Organic Light-Emitting Diodes.

An experimental and computational approach to understanding the reactions of acyl nitroso compounds in [4+2]-cycloadditions (2015)
Journal Article
Chaiyaveij, D., Batsanov, A., Fox, M., Marder, T., & Whiting, A. (2015). An experimental and computational approach to understanding the reactions of acyl nitroso compounds in [4+2]-cycloadditions. Journal of Organic Chemistry, 80(19), 9518-9534. https://doi.org/10.1021/acs.joc.5b01470

Catalytic aerobic oxidation of phenyl hydroxycarbamate 1 and 1-hydroxy-3-phenylurea 2 using CuCl2 and 2-ethyl-2-oxazoline in methanol gave acyl nitroso species in situ, which were trapped in nitroso-Diels–Alder (NDA) reactions with various dienes to... Read More about An experimental and computational approach to understanding the reactions of acyl nitroso compounds in [4+2]-cycloadditions.

Chiral probe development for circularly polarised luminescence: comparative study of structural factors determining the degree of induced CPL with four heptacoordinate europium(III) complexes (2015)
Journal Article
Neil, E., Fox, M., Pal, R., Pålsson, L., O'Sullivan, B., & Parker, D. (2015). Chiral probe development for circularly polarised luminescence: comparative study of structural factors determining the degree of induced CPL with four heptacoordinate europium(III) complexes. Dalton Transactions, 44(33), 14937-14951. https://doi.org/10.1039/c5dt02358k

A series of bright, europium(III) complexes has been prepared based on an achiral heptadentate triazacyclononane ligand bearing two strongly absorbing, coordinated aralkynyl pyridyl moieties. The binding of chiral carboxylates, including α-hydroxy ac... Read More about Chiral probe development for circularly polarised luminescence: comparative study of structural factors determining the degree of induced CPL with four heptacoordinate europium(III) complexes.

Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform (2015)
Journal Article
Yufit, D., & Fox, M. (2016). Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform. Structural Chemistry, 27(1), 9-15. https://doi.org/10.1007/s11224-015-0620-x

Crystals of three isomeric 2,3-, 2,5- and 3,4-hexanediones 1–3 and of molecular complexes (1:2) of 2 and 3 with chloroform (4 and 5) were grown by in situ cryocrystallisation and characterised by single-crystal X-ray crystallography. The intermolecul... Read More about Low-melting molecular complexes: Part VII. 2,3-, 2,5- and 3,4-hexanediones and their molecular complexes with chloroform.

Syntheses and Structures of Buta-1,3-Diynyl Complexes from ‘On Complex’ Cross-Coupling Reactions (2015)
Journal Article
Oerthel, M., Yufit, D., Fox, M., Bryce, M., & Low, P. (2015). Syntheses and Structures of Buta-1,3-Diynyl Complexes from ‘On Complex’ Cross-Coupling Reactions. Organometallics, 34(11), 2395-2405. https://doi.org/10.1021/om501186c

The Pd(PPh3)4/CuI-cocatalyzed reaction of Ru(C≡CC≡CH)(PPh3)2Cp (2) with aryl iodides, Ar–I (3, Ar = C6H4CN-4 (a); C6H4Me-4 (b); C6H4OMe-4 (c); 2,3-dihydrobenzo[b]thiophene (d); C5H4N (e)) proceeds smoothly in diisopropylamine and under an inert atmos... Read More about Syntheses and Structures of Buta-1,3-Diynyl Complexes from ‘On Complex’ Cross-Coupling Reactions.

Syntheses and Reductions of C-Dimesitylboryl-1,2-dicarba-closo-dodecaboranes (2015)
Journal Article
Kahlert, J., Böhling, L., Brockhinke, A., Stammler, H., Newmann, B., Rendina, L., …Fox, M. (2015). Syntheses and Reductions of C-Dimesitylboryl-1,2-dicarba-closo-dodecaboranes. Dalton Transactions, 44(21), 9766-9781. https://doi.org/10.1039/c5dt00758e

Two C-dimesitylboryl-1,2-dicarba-closo-dodecaboranes, 1-(BMes2)-2-R-1,2-C2B10H10 (1, R = H, 2, R = Ph), were synthesised by lithiation of 1,2-dicarba-closo-dodecaborane and 1-phenyl-1,2-dicarba-closo-dodecaborane, respectively, with n-butyllithium an... Read More about Syntheses and Reductions of C-Dimesitylboryl-1,2-dicarba-closo-dodecaboranes.

Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues (2015)
Journal Article
Funk, A., Harvey, P., Finney, K., Fox, M., Kenwright, A., Rogers, N., …Parker, D. (2015). Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues. Physical Chemistry Chemical Physics, 17(25), 16507-16511. https://doi.org/10.1039/c5cp02210j

Measurements of the proton NMR paramagnetic relaxation rates for several series of isostructural lanthanide(III) complexes have been performed in aqueous solution over the field range 1.0 to 16.5 Tesla. The field dependence has been modeled using Blo... Read More about Challenging lanthanide relaxation theory: erbium and thulium complexes that show NMR relaxation rates faster than dysprosium and terbium analogues.

New donor–acceptor conjugates based on a trifluorenylporphyrin linked to a redox–switchable ruthenium unit (2015)
Journal Article
Merhi, A., Zhang, X., Yao, D., Drouet, S., Mongin, O., Paul, F., …Paul-Roth, C. (2015). New donor–acceptor conjugates based on a trifluorenylporphyrin linked to a redox–switchable ruthenium unit. Dalton Transactions, 44(20), 9470-9485. https://doi.org/10.1039/c5dt00348b

Reactions of the 16-electron ruthenium complex [Ru(dppe)2Cl][PF6] with metal-free and zinc ethynylphenyltrifluorenylporphyrins 1 and 2 respectively, gave the new dyads 3 and 4 with ethynylruthenium group as a potential electron donor and the porphyri... Read More about New donor–acceptor conjugates based on a trifluorenylporphyrin linked to a redox–switchable ruthenium unit.

Near infrared-emitting tris-bidentate Os(II) phosphors: control of excited state characteristics and fabrication of OLEDs (2015)
Journal Article
Liao, J., Chi, Y., Yeh, C., Kao, H., Chang, C., Fox, M., …Lee, G. (2015). Near infrared-emitting tris-bidentate Os(II) phosphors: control of excited state characteristics and fabrication of OLEDs. Journal of Materials Chemistry C Materials for optical and electronic devices, 3(19), 4910-4920. https://doi.org/10.1039/c5tc00204d

A series of four Os(II) complexes bearing (i) chromophoric diimine ligands (N^N), such as 2,2′-bipyridine (bpy) and substituted 1,10-phenanthrolines, (ii) dianionic bipz chelate ligands derived from 5,5′-di(trifluoromethyl)-2H,2′H-3,3′-bipyrazole (bi... Read More about Near infrared-emitting tris-bidentate Os(II) phosphors: control of excited state characteristics and fabrication of OLEDs.

Why are the {Cu4N4} rings in copper(I) phosphinimide clusters [Cu{μ-N=PR3}]4 (R = NMe3 or Ph) planar? (2015)
Journal Article
Robinson, T., Price, R., Davidson, M., Fox, M., & Johnson, A. (2015). Why are the {Cu4N4} rings in copper(I) phosphinimide clusters [Cu{μ-N=PR3}]4 (R = NMe3 or Ph) planar?. Dalton Transactions, 44(12), 5611-5619. https://doi.org/10.1039/c5dt00255a

The copper phosphinimide complexes [Cu{μ-N[double bond, length as m-dash]PR3}]4 (1, R = NMe2 and 2, R = Ph) were obtained in good yields from the reactions of Cu[Mes] (Mes = mesityl, C6H2Me3-2,4,6) with the corresponding iminophosphoranes, HNPR3. The... Read More about Why are the {Cu4N4} rings in copper(I) phosphinimide clusters [Cu{μ-N=PR3}]4 (R = NMe3 or Ph) planar?.

Oligo(p-phenyleneethynylene) (OPE) Molecular Wires: Synthesis and Length Dependence of Photoinduced Charge Transfer in OPEs with Triarylamine and Diaryloxadiazole End Groups (2015)
Journal Article
Linton, K., Fox, M., Pålsson, L., & Bryce, M. (2015). Oligo(p-phenyleneethynylene) (OPE) Molecular Wires: Synthesis and Length Dependence of Photoinduced Charge Transfer in OPEs with Triarylamine and Diaryloxadiazole End Groups. Chemistry - A European Journal, 21(10), 3997-4007. https://doi.org/10.1002/chem.201406080

The systematic synthesis and photophysical, electrochemical and computational studies on an extended series of triphenylamine-[C[TRIPLE BOND]C-1,4-C6H2(OR)2]n-C[TRIPLE BOND]C-diphenyl-1,3,4-oxadiazole dyad molecules (the OR groups are at 2,5-position... Read More about Oligo(p-phenyleneethynylene) (OPE) Molecular Wires: Synthesis and Length Dependence of Photoinduced Charge Transfer in OPEs with Triarylamine and Diaryloxadiazole End Groups.

Electronic Structure and Charge Transport Properties of a Series of 3,6-(Diphenyl)-s-tetrazine Derivatives: Are They Suitable Candidates for Molecular Electronics? (2014)
Journal Article
Moral, M., García, G., Garzón, A., Granadino-Roldán, J., Fox, M., Yufit, D., …Fernández-Gómez, M. (2014). Electronic Structure and Charge Transport Properties of a Series of 3,6-(Diphenyl)-s-tetrazine Derivatives: Are They Suitable Candidates for Molecular Electronics?. Journal of Physical Chemistry C, 118(46), 26427-26439. https://doi.org/10.1021/jp5049698

Optoelectronic and charge-transport related properties of a series of 3,6-diphenyl-s-tetrazine derivatives, including F, Cl, Br, and CN substituents, have been analyzed. The molecular structure and electronic properties of the new fluorine-containing... Read More about Electronic Structure and Charge Transport Properties of a Series of 3,6-(Diphenyl)-s-tetrazine Derivatives: Are They Suitable Candidates for Molecular Electronics?.

Bimetallic Cyclometalated Iridium(III) Diastereomers with Non-Innocent Bridging Ligands for High-Efficiency Phosphorescent OLEDs (2014)
Journal Article
Zheng, Y., Batsanov, A., Fox, M., Al-Attar, H., Abdullah, K., Jankus, V., …Monkman, A. (2014). Bimetallic Cyclometalated Iridium(III) Diastereomers with Non-Innocent Bridging Ligands for High-Efficiency Phosphorescent OLEDs. Angewandte Chemie International Edition, 53(43), 11616-11619. https://doi.org/10.1002/anie.201407475

Two phosphorescent dinuclear iridium(III) diastereomers (ΛΔ/ΔΛ) and (ΛΛ/ΔΔ) are readily separated by making use of their different solubilities in hot hexane. The bridging diarylhydrazide ligand plays an important role in the electrochemistry and pho... Read More about Bimetallic Cyclometalated Iridium(III) Diastereomers with Non-Innocent Bridging Ligands for High-Efficiency Phosphorescent OLEDs.

Studies on bis(1’-ortho-carboranyl)benzenes and bis(1’-ortho-carboranyl)biphenyls (2014)
Journal Article
Harder, R., MacBride, J., Rivers, G., Yufit, D., Goeta, A., Howard, J., …Fox, M. (2014). Studies on bis(1’-ortho-carboranyl)benzenes and bis(1’-ortho-carboranyl)biphenyls. Tetrahedron, 70(34), 5182-5189. https://doi.org/10.1016/j.tet.2014.05.102

Reactions between the C,C’-dicopper(I) derivative of ortho-carborane and ortho-, meta- and para-diiodobenzene are reported. The reaction with 1,2-C6H4I2 unexpectedly afforded 2,2’-bis(1’-ortho-carboranyl)biphenyl, [HCB10H10CC6H4]22, whereas reactions... Read More about Studies on bis(1’-ortho-carboranyl)benzenes and bis(1’-ortho-carboranyl)biphenyls.

Ultrafast Dynamics and Computational Studies on Diaminodicyanoquinodimethanes (DADQs) (2014)
Journal Article
Szablewski, M., Fox, M., Dias, F., Namih, H., Snedden, E., King, S., …Pålsson, L. (2014). Ultrafast Dynamics and Computational Studies on Diaminodicyanoquinodimethanes (DADQs). Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 118(24), 6815-6828. https://doi.org/10.1021/jp411358d

Three diaminodicyanoquinodimethanes, 4-(R1R2C)-1-[(NC)2C]-C6H4 (R1,R2 = H2N, 1; R1 = 3,5-Me2-4-OCH4H6N–, R2 = H2N, 2; R1 = 3,5-Me2-4-OCH4H6N–, R2 = 4-Me-C5H9N, 3), were investigated using carbon-13 NMR, steady-state, and ultrafast transient absorptio... Read More about Ultrafast Dynamics and Computational Studies on Diaminodicyanoquinodimethanes (DADQs).

Mixed-Valence Ruthenium Complexes Rotating through a Conformational Robin–Day Continuum (2014)
Journal Article
Parthey, M., Gluyas, J., Fox, M., Low , P., & Kaupp, M. (2014). Mixed-Valence Ruthenium Complexes Rotating through a Conformational Robin–Day Continuum. Chemistry - A European Journal, 20(23), 6895-6908. https://doi.org/10.1002/chem.201304947

The conformational energy landscape and the associated electronic structure and spectroscopic properties (UV/Vis/near-infrared (NIR) and IR) of three formally d5/d6 mixed-valence diruthenium complex cations, [{Ru(dppe)Cp*}2(μ-C≡CC6H4C≡C)]+, [1]+, [tr... Read More about Mixed-Valence Ruthenium Complexes Rotating through a Conformational Robin–Day Continuum.

On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules (2014)
Journal Article
Weber, L., Halama, J., Hanke, K., Böhling, L., Brockhinke, A., Stammler, H., …Fox, M. (2014). On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules. Dalton Transactions, 43(8), 3347-3363. https://doi.org/10.1039/c3dt52836g

A series of 1,3-bis(perfluoroaryl)-2-(hetero)aryl-1,3,2-benzodiazaboroles, 1,3-FAr2-2-Ar-1,3,2-N2BC6H4 (Ar = Ph, FAr = C6F5 5; Ar = Ph, FAr = 4-C5F4N 6; Ar = Ph, FAr = 4-NCC6F4 7; Ar = 2-C4H3S, FAr = C6F5 8; Ar = 2-C4H3S, FAr = 4-C5F4N 9; Ar = 2-C4H3... Read More about On the ambiguity of 1,3,2-benzodiazaboroles as donor/acceptor functionalities in luminescent molecules.

Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters (2014)
Journal Article
Kahlert, J., Stammler, H., Neumann, B., Harder, R., Weber, L., & Fox, M. (2014). Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters. Angewandte Chemie International Edition, 53(14), 3702-3705. https://doi.org/10.1002/anie.201310718

While carboranes with 2 n+2 and 2 n+4 (n=number of skeletal atoms) skeletal electrons (SE) are widely known, little has been reported on carboranes with odd SE numbers. Electrochemical measurements on two-cage assemblies, where two C-phenyl-ortho-car... Read More about Crystal structures of the carborane dianions, [1,4-(PhCB10H10C)2C6H4]2- and [1,4-(PhCB10H10C)2C6F4]2-, and the stabilizing role of the para-phenylene unit on unusual 2n+3 SE clusters.

19F and 13C GIAO-NMR chemical shifts for the identification of perfluoro-quinoline and -isoquinoline derivatives (2013)
Journal Article
Fox, M., Pattison, G., Sandford, G., & Batsanov, A. (2013). 19F and 13C GIAO-NMR chemical shifts for the identification of perfluoro-quinoline and -isoquinoline derivatives. Journal of Fluorine Chemistry, 155, 62-71. https://doi.org/10.1016/j.jfluchem.2013.05.005

Reaction of perfluoroquinoline 1 and perfluoroisoquinoline 2 with benzylamine gave mono- and di-aminated quinoline and isoquinoline systems, respectively, depending upon the reaction conditions by selective SNAr processes. Optimised model geometries... Read More about 19F and 13C GIAO-NMR chemical shifts for the identification of perfluoro-quinoline and -isoquinoline derivatives.

C,C′-Bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: Synthesis, structures, photophysics and electrochemistry (2013)
Journal Article
Weber, L., Kahlert, J., Brockhinke, R., Böhling, L., Halama, J., Brockhinke, A., …Fox, M. (2013). C,C′-Bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: Synthesis, structures, photophysics and electrochemistry. Dalton Transactions, 42(30), 10982-10996. https://doi.org/10.1039/c3dt51125a

Six new C,C′-bis(benzodiazaborolyl)dicarba-closo-dodecaboranes, 1,A-R2-1,A-C2B10H10, where R represents the group 2-(1,3-Et2-1,3,2-N2BC6H4) or 2-(1,3-Ph2-1,3,2-N2BC6H4) and A is 2, 7 or 12, were synthesized from o-, m-, and p-dicarbadodecaboranes (ca... Read More about C,C′-Bis(benzodiazaborolyl)dicarba-closo-dodecaboranes: Synthesis, structures, photophysics and electrochemistry.

A novel, efficient synthesis of N-aryl pyrroles via reaction of 1-boronodienes with arylnitroso compounds (2013)
Journal Article
Tripoteau, F., Eberlin, L., Fox, M., Carboni, B., & Whiting, A. (2013). A novel, efficient synthesis of N-aryl pyrroles via reaction of 1-boronodienes with arylnitroso compounds. Chemical Communications, 49(47), 5414-5416. https://doi.org/10.1039/c3cc42227e

A one-pot hetero-Diels–Alder/ring contraction cascade is presented from the reaction of 1-boronodienes and arylnitroso derivatives to derive N-arylpyrroles in moderate to good yields (up to 82%).

Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane (2013)
Journal Article
Ioppolo, J., Bhadbhade, M., Fox, M., & Rendina, L. (2013). Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane. Chemical Communications, 49(32), 3312-3314. https://doi.org/10.1039/c3cc41173g

Deboronation and cage rearrangement of the closo-1,12-carborane salt [1,12-(PPh2Me)2-1,12-C2B10H10]I2 occurs in refluxing methanol to give the zwitterionic nido-7,9-carborane 7,9-(PPh2Me)2-7,9-C2B9H9. Notably, deboronation and cage substitution of th... Read More about Remarkable cage deboronation and rearrangement of a closo-1,12-dicarbadodecaborane to form a neutral nido-7,9-dicarbaundecaborane.

Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes (2013)
Journal Article
Weber, L., Kahlert, J., Boehling, L., Brockhinke, A., Stammler, H., Neumann, B., …Fox, M. (2013). Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes. Dalton Transactions, 42(6), 2266-2281. https://doi.org/10.1039/c2dt32378h

Fifteen C-diazaborolyl-ortho-carboranes, 1-R′-2-R′′-1,2-C2B10H10, where R′ represents the groups 2-(1,3-Et2-1,3,2-N2BC6H4)-, 2-(1,3-Ph2-1,3,2-N2BC6H4)-, 2-(1,3-Ph2-5,6-Me2-1,3,2-N2BC6H2)-, 2-(1,3-iPr2-1,3,2-N2BC6H4)-, and 2-(1,3,2-N2BC6H6)- and where... Read More about Electrochemical and spectroelectrochemical studies of C-benzodiazaborolyl-ortho-carboranes.

Some Ruthenium Derivatives of Penta-1,4-diyn-3-one (2013)
Journal Article
Bruce, M. I., Burgun, A., Fox, M. A., Jevric, M., Low, P. J., Nicholson, B. K., …Zaitseva, N. N. (2013). Some Ruthenium Derivatives of Penta-1,4-diyn-3-one. Organometallics, 32(11), 3286-3299. https://doi.org/10.1021/om400208q

The reaction between Ru(C≡CH)(dppe)Cp* (1) and oxalyl chloride affords ({Ru(dppe)Cp*}C≡C)2CO (2) in 72% yield. Methylation (MeOTf) of 2 occurs first on the carbonyl oxygen, affording [({Ru(dppe)Cp*}C≡C)2C(OMe)]OTf ([3]OTf). A second methylation of [3... Read More about Some Ruthenium Derivatives of Penta-1,4-diyn-3-one.

Colour tuning from green to red by substituent effects in phosphorescent tris-cyclometalated iridium(III) complexes of carbazole-based ligands: synthetic, photophysical, computational and high efficiency OLED studies (2012)
Journal Article
Tavasli, M., Moore, T. N., Zheng, Y., Bryce, M. R., Fox, M. A., Griffiths, G. C., …Monkman, A. P. (2012). Colour tuning from green to red by substituent effects in phosphorescent tris-cyclometalated iridium(III) complexes of carbazole-based ligands: synthetic, photophysical, computational and high efficiency OLED studies. Journal of materials chemistry, 22(13), 6419-6428. https://doi.org/10.1039/c2jm15049b

Colour tuning of blue electroluminescence using bipolar carbazole-oxadiazole molecules in single-active-layer organic light emitting devices (OLEDs) (2012)
Journal Article
Linton, K., Fisher, A., Pearson, C., Fox, M., Pålsson, L., Bryce, M., & Petty, M. (2012). Colour tuning of blue electroluminescence using bipolar carbazole-oxadiazole molecules in single-active-layer organic light emitting devices (OLEDs). Journal of materials chemistry, 22(23), 11816-11825. https://doi.org/10.1039/c2jm31825c

Dinuclear iridium(III) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs (2012)
Journal Article
M'hamedi, A., Batsanov, A. S., Fox, M. A., Bryce, M. R., Abdullah, K., Al-Attar, H. A., & Monkman, A. P. (2012). Dinuclear iridium(III) complexes of cyclometalated fluorenylpyridine ligands as phosphorescent dopants for efficient solution-processed OLEDs. Journal of materials chemistry, 22(27), 13529-13540. https://doi.org/10.1039/c2jm31143g

Substitution of Tetracyanoethene by Ethynyl-Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal-Ligand Fragments (2012)
Journal Article
Bruce, M. I., Fox, M. A., Low, P. J., Nicholson, B. K., Parker, C. R., Patalinghug, W. C., …White, A. H. (2012). Substitution of Tetracyanoethene by Ethynyl-Metal Complexes Gives Tricyanovinylethynyl (Tricyanobutenynyl) Derivatives: Syntheses, Protonation, and Addition of Metal-Ligand Fragments. Organometallics, 31(7), 2639-2657. https://doi.org/10.1021/om2007503

Syntheses, structures and redox properties of tris(pyrazolyl)borate-capped ruthenium vinyl complexes (2012)
Journal Article
Farmer, J. D., Man, W. Y., Fox, M. A., Yufit, D. S., Howard, J. A., Hill, A. F., & Low, P. J. (2012). Syntheses, structures and redox properties of tris(pyrazolyl)borate-capped ruthenium vinyl complexes. Journal of Organometallic Chemistry, 721-722, 173-185. https://doi.org/10.1016/j.jorganchem.2012.09.001

Reaction of RuHCl(CO)(PPh3)3 with aryl alkynes HCCC6H4R-4 [1: R = N(C6H4Me-4)2 (a), OMe (b), Me (c), CO2Me (d), NO2 (e)] gives the five-coordinate vinyl complexes Ru(CHCHC6H4R-4)Cl(CO)(PPh3)2 (2a–e). Reaction of 2a with excess PMe3 gives crystallogra... Read More about Syntheses, structures and redox properties of tris(pyrazolyl)borate-capped ruthenium vinyl complexes.

Carboranes as model hypercarbon systems; structural and bonding patterns in selected isoelectronic closo-borane and carborane systems; [BnHn](2-), [1-CBn-1Hn](-) and 1,n-C2Bn-2Hn (n=5, 6, 7, 10 or 12) (2012)
Journal Article
Armstrong, D., Fox, M., & Wade, K. (2012). Carboranes as model hypercarbon systems; structural and bonding patterns in selected isoelectronic closo-borane and carborane systems; [BnHn](2-), [1-CBn-1Hn](-) and 1,n-C2Bn-2Hn (n=5, 6, 7, 10 or 12). Journal of Organometallic Chemistry, 721, 130-136. https://doi.org/10.1016/j.jorganchem.2012.07.047

Computations have been carried out on the title boranes and carboranes, model hypercarbon cluster systems chosen to explore how effectively an individual carbon atom, whilst bonding by a normal 2-electron 2-centre bond to an exo-hydrogen atom, can al... Read More about Carboranes as model hypercarbon systems; structural and bonding patterns in selected isoelectronic closo-borane and carborane systems; [BnHn](2-), [1-CBn-1Hn](-) and 1,n-C2Bn-2Hn (n=5, 6, 7, 10 or 12).

Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II) (2012)
Journal Article
Tuxworth, L., Baiget, L., Phanopoulos, A., Metters, O. J., Batsanov, A. S., Fox, M. A., …Dyer, P. W. (2012). Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II). Chemical Communications, 48(84), 10413-10415. https://doi.org/10.1039/c2cc35623f

N-Diphenylphosphino-7-aza-benzobicyclo[2.2.1]hept-2-ene (2) behaves as a chelating phosphine–alkene ligand for Pd0 and PdII, promoting direct alkyl–alkyl and indirect alkyl–halide reductive elimination reactions due to the stabilisation of the result... Read More about Phosphine-alkene ligand-mediated alkyl-alkyl and alkyl-halide elimination processes from palladium(II).

Diazaborolyl-boryl push–pull systems with ethynylene–arylene bridges as ‘turn-on’ fluoride sensors (2012)
Journal Article
Weber, L., Eickhoff, D., Kahlert, J., Boehling, L., Brockhinke, A., Stammler, H., …Fox, M. A. (2012). Diazaborolyl-boryl push–pull systems with ethynylene–arylene bridges as ‘turn-on’ fluoride sensors. Dalton Transactions, 41(34), 10328-10346. https://doi.org/10.1039/c2dt30438d

Two linear π-conjugated systems with 1,3-diethyl-1,3,2-benzodiazaborolyl [C6H4(NEt)2B–] as a donor group and dimesitylboryl (–BMes2) as acceptor were synthesised with –ethynylene–phenylene- (–C[triple bond, length as m-dash]C-1,4-C6H4–, 3) and –ethyn... Read More about Diazaborolyl-boryl push–pull systems with ethynylene–arylene bridges as ‘turn-on’ fluoride sensors.

Luminescence Properties of C-Diazaborolyl-ortho-Carboranes as Donor-Acceptor Systems (2012)
Journal Article
Weber, L., Kahlert, J., Brockhinke, R., Boehling, L., Brockhinke, A., Stammler, H., …Fox, M. (2012). Luminescence Properties of C-Diazaborolyl-ortho-Carboranes as Donor-Acceptor Systems. Chemistry - A European Journal, 18(27), 8347-8357. https://doi.org/10.1002/chem.201200390

Seven derivatives of 1,2-dicarbadodecaborane (ortho-carborane, 1,2-C2B10H12) with a 1,3-diethyl- or 1,3-diphenyl-1,3,2-benzodiazaborolyl group on one cage carbon atom were synthesized and structurally characterized. Six of these compounds showed rema... Read More about Luminescence Properties of C-Diazaborolyl-ortho-Carboranes as Donor-Acceptor Systems.

Experimental and Theoretical Studies on Organic D-π-A Systems Containing Three-Coordinate Boron Moieties as both π-Donor and π-Acceptor (2012)
Journal Article
Weber, L., Eickhoff, D., Marder, T. B., Fox, M. A., Low, P. J., Dwyer, A. D., …Neumann, B. (2012). Experimental and Theoretical Studies on Organic D-π-A Systems Containing Three-Coordinate Boron Moieties as both π-Donor and π-Acceptor. Chemistry - A European Journal, 18(5), 1369-1382. https://doi.org/10.1002/chem.201102059

Four linear π-conjugated systems with 1,3-diethyl-1,3,2-benzodiazaborolyl [C6H4(NEt)2B] as a π-donor at one end and dimesitylboryl (BMes2) as a π-acceptor at the other end were synthesized. These unusual push–pull systems contain phenylene ([BOND]1,4... Read More about Experimental and Theoretical Studies on Organic D-π-A Systems Containing Three-Coordinate Boron Moieties as both π-Donor and π-Acceptor.

peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase (2012)
Journal Article
Delley, R., Bandyopadhyay, S., Fox, M., Schliehe, C., Hodgson, D., Hollfelder, F., …O'Donoghue, A. (2012). peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase. Organic and Biomolecular Chemistry, 10(3), 590-596. https://doi.org/10.1039/c1ob06525d

The rate constants for exchange of hydrogen for deuterium at the α-CH2 positions of 8-(N,N-dimethylaminonaphthalen-1-yl)acetic acid tert-butyl ester 1 and naphthalen-1-ylacetic acid tert-butyl ester 2 have been determined in potassium deuteroxide sol... Read More about peri-Dimethylamino substituent effects on proton transfer at carbon in α-naphthylacetate esters: a model for mandelate racemase.

The synthesis, molecular and electronic structure of cyanovinylidene complexes (2012)
Journal Article
Long, E. M., Brown, N. J., Man, W. Y., Fox, M. A., Yufit, D. S., Howard, J. A., & Low, P. J. (2012). The synthesis, molecular and electronic structure of cyanovinylidene complexes. Inorganica Chimica Acta, 380, 358-371. https://doi.org/10.1016/j.ica.2011.10.067

Reaction of the readily available metal acetylide complexes Ru(CCC6H4R-4)(PPh3)2Cp (R = OMe, Me, H, CN, CO2Me), Ru(CCFc)(PPh3)2Cp and Fe(CCC6H4R-4)(dppe)Cp (R = Me, H) with 1-cyano-4-dimethylaminopyridinium tetrafluoroborate affords cyanovinylidene c... Read More about The synthesis, molecular and electronic structure of cyanovinylidene complexes.

1,2-Carbagerma-closo-dodecaborate as a Germanium Ligand in Coordination Chemistry - Synthesis, Structure and Reactivity (2011)
Journal Article
Wagenpfeil, A., Nickl, C., Schubert, H., Eichele, K., Fox, M. A., & Wesemann, L. (2011). 1,2-Carbagerma-closo-dodecaborate as a Germanium Ligand in Coordination Chemistry - Synthesis, Structure and Reactivity. European Journal of Inorganic Chemistry, 2011(22), 3349-3356. https://doi.org/10.1002/ejic.201100310

A much improved synthesis for the carbagerma-closo-dodecaborate anion [GeCB10H11]– is described in the form of [Bu3NH][GeCB10H11] (1). In reactions with transition metal electrophiles, three transition metal complexes {[Bu3NH][(C6H6)Ru(Cl)2(GeCB10H11... Read More about 1,2-Carbagerma-closo-dodecaborate as a Germanium Ligand in Coordination Chemistry - Synthesis, Structure and Reactivity.

Ligand redox non-innocent behaviour in ruthenium complexes of ethynyl tolans (2011)
Journal Article
Khairul, W., Fox, M., Schauer, P., Albesa-Jove, D., Yufit, D., Howard, J., & Low, P. (2011). Ligand redox non-innocent behaviour in ruthenium complexes of ethynyl tolans. Inorganica Chimica Acta, 374(1), 461-471. https://doi.org/10.1016/j.ica.2011.02.043

A small series of half-sandwich bis(phosphine) ruthenium acetylide complexes [Ru(CCC6H4CCSiMe3)(L2)Cp′] and [Ru(CCC6H4CCC6H4R-4)(L2)Cp′] (R = OMe, Me, CO2Me, NO2; L2 = (PPh3)2, Cp′ = Cp; L2 = dppe; Cp′ = Cp∗) have been synthesised. One-electron oxida... Read More about Ligand redox non-innocent behaviour in ruthenium complexes of ethynyl tolans.

Highly Efficient, Solution-Processed, Single-Layer, Electrophosphorescent Diodes and the Effect of Molecular Dipole Moment (2011)
Journal Article
Al-Attar, H., Griffiths, G., Moore, T., Tavasli, M., Fox, M., Bryce, M., & Monkman, A. (2011). Highly Efficient, Solution-Processed, Single-Layer, Electrophosphorescent Diodes and the Effect of Molecular Dipole Moment. Advanced Functional Materials, 21(12), 2376-2382. https://doi.org/10.1002/adfm.201100324

A new family of highly soluble electrophosphorescent dopants based on a series of tris-cyclometalated iridium(III) complexes (1-4) of 2-(carbazol-3-yl)-4/5-R-pyridine ligands with varying molecular dipole strengths have been synthesized. Highly effic... Read More about Highly Efficient, Solution-Processed, Single-Layer, Electrophosphorescent Diodes and the Effect of Molecular Dipole Moment.

Molybdenum Complexes of C,C-Bis(ethynyl)carboranes: Design, Synthesis, and Study of a Weakly Coupled Mixed-Valence Compound (2011)
Journal Article
Brown, N. J., Lancashire, H. N., Fox, M. A., Collison, D., Edge, R., Yufit, D. S., …Low, P. J. (2011). Molybdenum Complexes of C,C-Bis(ethynyl)carboranes: Design, Synthesis, and Study of a Weakly Coupled Mixed-Valence Compound. Organometallics, 30(4), 884-894. https://doi.org/10.1021/om1010353

The design and study of organometallic mixed-valence complexes is complicated by the mixing of metal d and bridging ligand π orbitals, which often makes the assignment of metal oxidation states ambiguous. However, in the case of complexes based on th... Read More about Molybdenum Complexes of C,C-Bis(ethynyl)carboranes: Design, Synthesis, and Study of a Weakly Coupled Mixed-Valence Compound.

The electronic structures of diruthenium complexes containing an oligo(phenylene ethynylene) bridging ligand, and some related molecular structures (2010)
Journal Article
Khairul, W. M., Fox, M. A., Schauer, P. A., Yufit, D. S., Albesa-Jové, D., Howard, J. A., & Low, P. J. (2010). The electronic structures of diruthenium complexes containing an oligo(phenylene ethynylene) bridging ligand, and some related molecular structures. Dalton Transactions, 39(48), 11605-11615. https://doi.org/10.1039/c0dt00809e

The complexes [{Cp′(L2)Ru}CCC6H4CCC6H2(OMe)2CCC6H4CC{Ru(L2)Cp′}](L2 = (PPh3)2, Cp′ = Cp; L2 = dppe, Cp′ = Cp*) in which the metal centres are bridged by an oligomeric phenylene ethynylene (OPE) ligand have been prepared and the electronic structure o... Read More about The electronic structures of diruthenium complexes containing an oligo(phenylene ethynylene) bridging ligand, and some related molecular structures.

Deboronation and Deprotonation of ortho-Carborane with N-Heterocyclic Carbenes (2010)
Journal Article
Willans, C., Kilner, C., & Fox, M. (2010). Deboronation and Deprotonation of ortho-Carborane with N-Heterocyclic Carbenes. Chemistry - A European Journal, 16(35), 10644-10648. https://doi.org/10.1002/chem.201001730

It is a matter of size: N-Heterocyclic carbenes can remove a proton from ortho-carborane to form a two-cage anion or attack the electropositive boron of ortho-carborane to yield a stable 1:2 carborane–carbene adduct. Which end product is formed depen... Read More about Deboronation and Deprotonation of ortho-Carborane with N-Heterocyclic Carbenes.

Luminescent Platinum(II) Complexes Containing Cyclometallated Diaryl Ketimine Ligands: Synthesis, Photophysical and Computational Properties (2010)
Journal Article
Pandya, S., Moss, K., Bryce, M., Batsanov, A., Fox, M., Jankus, V., …Monkman, A. (2010). Luminescent Platinum(II) Complexes Containing Cyclometallated Diaryl Ketimine Ligands: Synthesis, Photophysical and Computational Properties. European Journal of Inorganic Chemistry, 2010(13), 1963-1972. https://doi.org/10.1002/ejic.200901159

A new series of platinum(II) complexes containing cyclometallated diaryl ketimine ligands has been synthesised. The route involves reaction of diaryl ketimines with K[PtCl3(dmso)] to obtain trans-[PtCl2(imine)(dmso)] species, which underwent cyclomet... Read More about Luminescent Platinum(II) Complexes Containing Cyclometallated Diaryl Ketimine Ligands: Synthesis, Photophysical and Computational Properties.

Some reactions of an eta(3)-tetracyanobutadienyl-ruthenium complex (2010)
Journal Article
Bruce, M. I., Fox, M. A., Low, P. J., Skelton, B. W., & Zaitseva, N. N. (2010). Some reactions of an eta(3)-tetracyanobutadienyl-ruthenium complex. Dalton Transactions, 39(15), 3759-3770. https://doi.org/10.1039/b921324d

In the η3-butadienyl complex Ru{η3-C(CN)2CPhC[double bond, length as m-dash]C(CN)2}(PPh3)Cp 1, which is formed from Ru(C[triple bond, length as m-dash]CPh)(PPh3)2Cp and tcne, a CN group reacts with MeO− to give the methoxy-amide Ru{NH[double bond, le... Read More about Some reactions of an eta(3)-tetracyanobutadienyl-ruthenium complex.

Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane (2010)
Journal Article
Bruce, M., Zaitseva, N., Skelton, B., White, A., Fox, M., & Low, P. (2010). Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane. Dalton Transactions, 39(5), 1222-1234. https://doi.org/10.1039/b909708b

Reactions of CCo3 carbonyl clusters Co3(μ3-CR)(CO)9 with 2,4,6-trimethyl-1,3,5-trithiane (SMe3) have given Co3(μ3-CR)(μ3-SMe3)(CO)6 [R = H (1), CCSiMe3 (2)]. A small amount of the coupled-alkyne product Me3SiC2[Co2(CO)6]C2[Co2(μ-SMe3)(CO)4]CCSiMe3 (3... Read More about Syntheses and molecular structures of some tricobalt carbonyl clusters containing 2,4,6-trimethyl-1,3,5-trithiane.

Tuning the Intramolecular Charge Transfer Emission from Deep Blue to Green in Ambipolar Systems Based On Dibenzothiophene S S-Dioxide by Manipulation of Conjugation and Strength of the Electron Donor Units (2010)
Journal Article
Moss, K., Bourdakos, K., Bhalla, V., Kamtekar, K., Bryce, M., Fox, M., …Monkman, A. (2010). Tuning the Intramolecular Charge Transfer Emission from Deep Blue to Green in Ambipolar Systems Based On Dibenzothiophene S S-Dioxide by Manipulation of Conjugation and Strength of the Electron Donor Units. Journal of Organic Chemistry, 75(20), 6771-6781. https://doi.org/10.1021/jo100898a

The efficient synthesis and photophysical properties of a series of ambipolar donor−acceptor−donor systems is described where the acceptor is dibenzothiophene S,S-dioxide and the donor is fluorene, carbazole, or arylamine. The systems exhibit intramo... Read More about Tuning the Intramolecular Charge Transfer Emission from Deep Blue to Green in Ambipolar Systems Based On Dibenzothiophene S S-Dioxide by Manipulation of Conjugation and Strength of the Electron Donor Units.

Structural, spectroscopic, electrochemical and computational studies of C,C '-diaryl-ortho-carboranes, 1-(4-XC6H4)-2-Ph-1,2-C2B10H10 (X = H, F, OMe, NMe2, NH2, OH and O-) (2009)
Journal Article
Fox, M., Nervi, C., Crivello, A., Batsanov, A., Howard, J., Wade, K., & Low, P. (2009). Structural, spectroscopic, electrochemical and computational studies of C,C '-diaryl-ortho-carboranes, 1-(4-XC6H4)-2-Ph-1,2-C2B10H10 (X = H, F, OMe, NMe2, NH2, OH and O-). Journal of Solid State Electrochemistry, 13(10), 1483-1495. https://doi.org/10.1007/s10008-008-0686-0

The influence of aryl ring substituents X (F, OMe, NMe2, NH2, OH and O−) on the physical and electronic structure of the ortho-carborane cage in a series of C,C′-diaryl-ortho-carboranes, 1-(4-XC6H4)-2-Ph-1,2-C2B10H10 has been investigated by crystall... Read More about Structural, spectroscopic, electrochemical and computational studies of C,C '-diaryl-ortho-carboranes, 1-(4-XC6H4)-2-Ph-1,2-C2B10H10 (X = H, F, OMe, NMe2, NH2, OH and O-).

The syntheses and structures of mono- and di-bromovinylidenes. (2009)
Journal Article
Brown, N. J., Fox, M. A., Smith, M. E., Yufit, D. S., Howard, J. A., & Low, P. J. (2009). The syntheses and structures of mono- and di-bromovinylidenes. Journal of Organometallic Chemistry, 694(25), 4042-4048. https://doi.org/10.1016/j.jorganchem.2009.08.027

Reactions of metal acetylide complexes M(CCAr)(PP)Cp′ (M = Fe, Ru; Ar = C6H5, C6H4Me-4; PP = (PPh3)2, dppe; Cp′ = Cp, Cp*; not all combinations), or the analogous vinylidene, with cyanogen bromide yield monobromovinylidene complexes [M{CC(Br)Ar}(PP)C... Read More about The syntheses and structures of mono- and di-bromovinylidenes..

Noninnocent Ligand Behavior in Diruthenium Complexes Containing a 1,3-Diethynylbenzene Bridge (2009)
Journal Article
Fox, M., Farmer, J., Roberts, R., Humphrey, M., & Low, P. (2009). Noninnocent Ligand Behavior in Diruthenium Complexes Containing a 1,3-Diethynylbenzene Bridge. Organometallics, 28(17), 5266-5269. https://doi.org/10.1021/om900200n

The electronic structures of 1,3-{trans-Cl(dppe)2RuC≡C}2C6H4 (3) and 1,3-{Cp*(dppe)RuC≡C}2C6H4 (4) in their available redox states have been investigated using a combination of UV−vis−near-IR and IR spectroscopy and computational methods. In contrast... Read More about Noninnocent Ligand Behavior in Diruthenium Complexes Containing a 1,3-Diethynylbenzene Bridge.

Trends in ortho-carboranes 1-X-2-R-1,2-C2B10H10 (R = Ph, Me) bearing an exo-CN-bonded substituent group (X = NO, N=NR ' or NHR '') (2009)
Journal Article
Fox, M., Peace, R., Clegg, W., Elsegood, M., & Wade, K. (2009). Trends in ortho-carboranes 1-X-2-R-1,2-C2B10H10 (R = Ph, Me) bearing an exo-CN-bonded substituent group (X = NO, N=NR ' or NHR ''). Polyhedron, 28(12), 2359-2370. https://doi.org/10.1016/j.poly.2009.04.041

The preparation and crystal structures of four ortho-carboranyl-nitrogen compounds, PhCboNdouble bond; length as m-dashN(C6H4Me-4) (1), PhCboNHNH(C6H4Me-4) (2), MeCboNHNHPh (3) and PhCboNHOH (4) (Cbo = 1,2-C2B10H10; nitrogen groups at cage carbon C1,... Read More about Trends in ortho-carboranes 1-X-2-R-1,2-C2B10H10 (R = Ph, Me) bearing an exo-CN-bonded substituent group (X = NO, N=NR ' or NHR '').

Synthetic, structural, photophysical and computational studies on 2-arylethynyl-1,3,2-diazaboroles (2009)
Journal Article
Weber, L., Werner, V., Fox, M. A., Marder, T. B., Schwedler, S., Brockhinke, A., …Neumann, B. (2009). Synthetic, structural, photophysical and computational studies on 2-arylethynyl-1,3,2-diazaboroles. Dalton Transactions, 2009(15), 2823-2831. https://doi.org/10.1039/b821208b

New 2-arylalkynyl benzo-1,3,2-diazaboroles, 2-(4′-XC6H4C[triple bond, length as m-dash]C)-1,3-Et2-1,3,2-N2BC6H4 (X =Me 2; MeO 3; MeS 4; Me2N 5), were prepared from B-bromodiazaborole, 2-Br-1,3-Et2-1,3,2-N2BC6H4, with the appropriate lithiated arylace... Read More about Synthetic, structural, photophysical and computational studies on 2-arylethynyl-1,3,2-diazaboroles.

New synthetic and structural studies on nitroso-ortho-carboranes RCB10H10CNO and bis(ortho-carboranyl)amines (RCB10H10C)(2)NH (R = Ph or Me) (2009)
Journal Article
Fox, M., MacBride, J., Peace, R., Clegg, W., Elsegood, M., & Wade, K. (2009). New synthetic and structural studies on nitroso-ortho-carboranes RCB10H10CNO and bis(ortho-carboranyl)amines (RCB10H10C)(2)NH (R = Ph or Me). Polyhedron, 28(4), 789-795. https://doi.org/10.1016/j.poly.2008.12.014

Improved procedures are reported for the preparation of nitroso-carboranes RCb°NO (Cb° = 1,2-C2B10H10; R = Ph, Me at cage carbon C2) in 44–77% yield, and of dicarboranylamines (RCb°)2NH in 55–65% yield by reactions between the lithio-carboranes, RCb°... Read More about New synthetic and structural studies on nitroso-ortho-carboranes RCB10H10CNO and bis(ortho-carboranyl)amines (RCB10H10C)(2)NH (R = Ph or Me).

DFT studies of the σ-donor/π-acceptor properties of [SnCB10H11]– and its relationship to [SnCl3]–, CO, PF3, [SnB11H11]2–, SnC2B9H11, and related SnC2BnHn+2 compounds (2009)
Journal Article
Fox, M. A., Marder, T. B., & Wesemann, L. (2009). DFT studies of the σ-donor/π-acceptor properties of [SnCB10H11]– and its relationship to [SnCl3]–, CO, PF3, [SnB11H11]2–, SnC2B9H11, and related SnC2BnHn+2 compounds. Canadian Journal of Chemistry, 87(1), 63-71. https://doi.org/10.1139/v08-081

The 1,2-carbastanna-closo-dodecaborate, [SnCB10H11]–, was found via DFT calculations to have intermediate σ-donor/π-acceptor properties between those of [SnB11H11]2– and 3,1,2-SnC2B9H11, and quite similar HOMO and LUMO energies and shapes to those of... Read More about DFT studies of the σ-donor/π-acceptor properties of [SnCB10H11]– and its relationship to [SnCl3]–, CO, PF3, [SnB11H11]2–, SnC2B9H11, and related SnC2BnHn+2 compounds.

Transition metal alkynyl complexes by transmetallation from Au(C[triple bond, length as m-dash]CAr)(PPh3) (Ar = C6H5 or C6H4Me-4) (2008)
Journal Article
Khairul, W. M., Fox, M. A., Zaitseva, N. N., Gaudio, M., Yufit, D. S., Skelton, B. W., …Low, P. J. (2009). Transition metal alkynyl complexes by transmetallation from Au(C[triple bond, length as m-dash]CAr)(PPh3) (Ar = C6H5 or C6H4Me-4). Dalton Transactions, 2009(4), 610-620. https://doi.org/10.1039/b809960j

Facile acetylide transfer reactions take place between gold(I) complexes Au(C[triple bond, length as m-dash]CAr)(PPh3) (Ar = C6H5 or C6H4Me-4) and a variety of representative inorganic and organometallic complexes MXLn (M = metal, X = halide, Ln = su... Read More about Transition metal alkynyl complexes by transmetallation from Au(C[triple bond, length as m-dash]CAr)(PPh3) (Ar = C6H5 or C6H4Me-4).

Some transition metal complexes derived from mono- and di-ethynyl perfluorobenzenes. (2008)
Journal Article
Armitt, D. J., Bruce, M. I., Gaudio, M., Zaitseva, N. N., Skelton, B. W., White, A. H., …Low, P. J. (2008). Some transition metal complexes derived from mono- and di-ethynyl perfluorobenzenes. Dalton Transactions, 6763-6775. https://doi.org/10.1039/b808798a

Transition metal alkynyl complexes containing perfluoroaryl groups have been prepared directly from trimethylsilyl-protected mono- and di-ethynyl perfluoroarenes by simple desilylation/metallation reaction sequences. Reactions between Me3SiC[triple b... Read More about Some transition metal complexes derived from mono- and di-ethynyl perfluorobenzenes..

Facile photoinduced charge separation through a cyanoacetylide bridge in a heterobimetallic Fe(ii)–Re(i) complex (2008)
Journal Article
Smith, M. E., Flynn, E. L., Fox, M. A., Trottier, A., Wrede, E., Yufit, D. S., …Low, P. J. (2008). Facile photoinduced charge separation through a cyanoacetylide bridge in a heterobimetallic Fe(ii)–Re(i) complex. Chemical Communications, 5845-5847. https://doi.org/10.1039/b811357b

Photoinduced Fe-to-bpy charge transfer in [{Cp(dppe)Fe}(μ-C[triple bond, length as m-dash]CC[triple bond, length as m-dash]N){Re(CO)3(bpy)}]PF6 has been observed by ps-TRIR spectroscopy, supported by UV-Vis/IR spectroelectrochemistry and DFT calculat... Read More about Facile photoinduced charge separation through a cyanoacetylide bridge in a heterobimetallic Fe(ii)–Re(i) complex.

N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry. (2008)
Journal Article
Baiget, L., Batsanov, A. S., Dyer, P. W., Fox, M. A., Hanton, M. J., Howard, J. A., …Solomon, S. A. (2008). N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry. Dalton Transactions, 1043-1054. https://doi.org/10.1039/b715736c

The syntheses of the cyclic N-phosphino-amidines and -guanidines Ph2PN(Pri)C(NPri2)N(Pri) (1) and Ph2PN(c-Hex)C(R)N(c-Hex) [R = piperazino (2), morpholino (3), Me (4), and Ph (5)] are reported. DFT studies have identified the preferred structures for... Read More about N-Phosphino-amidines and -guanidines: synthesis, structure and P,N-chelate chemistry..

Quenched gas-phase reactions of tetraborane(10), B4H10, with substituted alkynes: new nido-dicarbapentaboranes and arachno-monocarbapentaboranes (2008)
Journal Article
Fox, M. A., Greatrex, R., & Nikrahi, A. (2008). Quenched gas-phase reactions of tetraborane(10), B4H10, with substituted alkynes: new nido-dicarbapentaboranes and arachno-monocarbapentaboranes. Dalton Transactions, 2008(5), 676-684. https://doi.org/10.1039/b715105e

New alkyl derivatives of the nido-dicarbapentaborane, 1,2-C2B3H7, and arachno-carbapentaborane, 1-CB4H10, have been identified as the main volatile carbaborane products in quenched gas-phase reactions of tetraborane(10), B4H10, with alkyl-substituted... Read More about Quenched gas-phase reactions of tetraborane(10), B4H10, with substituted alkynes: new nido-dicarbapentaboranes and arachno-monocarbapentaboranes.

Polyhedral Carboranes (2007)
Book Chapter
Fox, M. (2007). Polyhedral Carboranes. In D. M. P. Mingos, & R. H. Crabtree (Eds.), Comprehensive Organometallic Chemistry III (49-112). Amsterdam: Elsevier. https://doi.org/10.1016/B0-08-045047-4/00043-1

This chapter covers the syntheses and geometries of polyhedral carboranes. Conversions of C–H and B–H bonds into C–X and B–X, respectively (where X is a nonmetal substituent), in these systems are also discussed. Significant developments described ar... Read More about Polyhedral Carboranes.

The preparation and characterisation of ruthenium cyanovinylidene complexes. (2007)
Journal Article
Brown, N. J., Eckert, P. K., Fox, M. A., Yufit, D. S., Howard, J. A., & Low, P. J. (2008). The preparation and characterisation of ruthenium cyanovinylidene complexes. Dalton Transactions, 433-436. https://doi.org/10.1039/b714274a

Reactions of half-sandwich ruthenium metal acetylide complexes with 1-cyano-4-dimethylaminopyridinium salts afford complexes containing mono- or di-cyanovinylidene ligands; the procedure can be adapted to permit the simple synthesis of a cyanoacetyli... Read More about The preparation and characterisation of ruthenium cyanovinylidene complexes..

Spectroscopic properties and electronic structures of 17-electron half-sandwich ruthenium acetylide complexes, [Ru(CCAr)(L2)Cp′]+ (Ar=phenyl, p-tolyl, 1-naphthyl, 9-anthryl; L2=(PPh3)2, Cp′=Cp; L2=dppe; Cp′=Cp∗). (2007)
Journal Article
Fox, M. A., Roberts, R. L., Khairul, W. M., Hartl, F., & Low, P. J. (2007). Spectroscopic properties and electronic structures of 17-electron half-sandwich ruthenium acetylide complexes, [Ru(CCAr)(L2)Cp′]+ (Ar=phenyl, p-tolyl, 1-naphthyl, 9-anthryl; L2=(PPh3)2, Cp′=Cp; L2=dppe; Cp′=Cp∗). Journal of Organometallic Chemistry, 692(15), 3277-3290. https://doi.org/10.1016/j.jorganchem.2007.03.042

A series of half-sandwich bis(phosphine) ruthenium acetylide complexes [Ru(CCAr)(L2)Cp′] (Ar = phenyl, p-tolyl, 1-naphthyl, 9-anthryl; L2 = (PPh3)2, Cp′ = Cp; L2 = dppe; Cp′ = Cp∗) have been examined using electrochemical and spectroelectrochemical m... Read More about Spectroscopic properties and electronic structures of 17-electron half-sandwich ruthenium acetylide complexes, [Ru(CCAr)(L2)Cp′]+ (Ar=phenyl, p-tolyl, 1-naphthyl, 9-anthryl; L2=(PPh3)2, Cp′=Cp; L2=dppe; Cp′=Cp∗)..

Carborane radical anions: spectroscopic and electronic properties of a carborane radical anion with a 2n + 3 skeletal electron count (2007)
Journal Article
Fox, M., Nervi, C., Crivello, A., & Low, P. (2007). Carborane radical anions: spectroscopic and electronic properties of a carborane radical anion with a 2n + 3 skeletal electron count. Chemical Communications, 23, 2372-2374. https://doi.org/10.1039/b700110j

One-electron reduction of the well-known carborane 1,2-Ph2-1,2-C2B10H10 (1) gives rise to a stable carborane radical anion ([1]–) with a true 2n + 3 cluster electron count; the geometry of ([1]–) features an elongated CC cage distance but no signific... Read More about Carborane radical anions: spectroscopic and electronic properties of a carborane radical anion with a 2n + 3 skeletal electron count.

Improved syntheses of bis(ethynyl)-para-carboranes, 1,12-(RC C)(2)-1,12-C2B10H10 and 1,10-(RC equivalent to C)(2)-1,10-C2B8H8 (R = H or Me3Si). (2006)
Journal Article
Fox, M., Baines, T., Albesa-Jove, D., Howard, J., & Low, P. (2006). Improved syntheses of bis(ethynyl)-para-carboranes, 1,12-(RC C)(2)-1,12-C2B10H10 and 1,10-(RC equivalent to C)(2)-1,10-C2B8H8 (R = H or Me3Si). Journal of Organometallic Chemistry, 691(18), 3889-3894. https://doi.org/10.1016/j.jorganchem.2006.05.044

Copper-mediated cross-coupling reactions of the 12-vertex and 10-vertex para carboranes, 1,12-C2B10H12 and 1,10-C2B8H10, with trans-1-iodo-2-chloroethene gave the bis(trans-2-chloroethenyl) carboranes, 1,12-(ClCHdouble bond; length as m-dashCH)2-1,12... Read More about Improved syntheses of bis(ethynyl)-para-carboranes, 1,12-(RC C)(2)-1,12-C2B10H10 and 1,10-(RC equivalent to C)(2)-1,10-C2B8H8 (R = H or Me3Si)..

Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes. (2006)
Journal Article
Fox, M., Cameron, A., Low, P., Paterson, M., Batsanov, A., Goeta, A., …Schirlin, J. (2006). Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes. Dalton Transactions, 29, 3544-3560. https://doi.org/10.1039/b517538k

A high-yield preparation of the C-monoethynyl para-carborane, 1-Me3SiC[triple bond, length as m-dash]C-1,12-C2B10H11, from C-monocopper para-carborane and 1-bromo-2-(trimethylsilyl)ethyne, BrC[triple bond, length as m-dash]CSiMe3 is reported. The low... Read More about Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes..

Preparative and structural studies on sulfur-linked carborane icosahedra: 2-phenyl-ortho-carboranyl-sulfur systems (2-Ph-1,2-C2B10H10)(2)X (X = S, S-2 or SO), and ortho-carboran-di-yl systems (1,2-C2B10H10Y)(2) (Y = S or SO) (2006)
Journal Article
Batsanov, A., Clegg, W., Copley, R., Fox, M., Gill, W., Grimditch, R., …Wade, K. (2006). Preparative and structural studies on sulfur-linked carborane icosahedra: 2-phenyl-ortho-carboranyl-sulfur systems (2-Ph-1,2-C2B10H10)(2)X (X = S, S-2 or SO), and ortho-carboran-di-yl systems (1,2-C2B10H10Y)(2) (Y = S or SO). Polyhedron, 25(2), 300-306. https://doi.org/10.1016/j.poly.2005.06.046

Details are reported of the preparation and X-ray structural characterisation of the new compounds (PhCbo)2X, where PhCbo = 2-Ph-1,2-C2B10H10 and X = S (1) or SO (3), prepared from PhCboLi and SCl2 or SOCl2 respectively, as well as the known compound... Read More about Preparative and structural studies on sulfur-linked carborane icosahedra: 2-phenyl-ortho-carboranyl-sulfur systems (2-Ph-1,2-C2B10H10)(2)X (X = S, S-2 or SO), and ortho-carboran-di-yl systems (1,2-C2B10H10Y)(2) (Y = S or SO).

Reactions of Icosahedral Carboranes with Iminotris(dimethylamino)Phosphorane HNP(NMe2)3: a Deboronation Intermediate nido-C2B10H12·N(H)P(NMe2)3, Deboronation Reactions and Hydrogen-bonded Closo-carborane Systems (2006)
Journal Article
Batsanov, A. S., Copley, R. C., Davidson, M. G., Fox, M. A., Hibbert, T. G., Howard, J. A., & Wade, K. (2006). Reactions of Icosahedral Carboranes with Iminotris(dimethylamino)Phosphorane HNP(NMe2)3: a Deboronation Intermediate nido-C2B10H12·N(H)P(NMe2)3, Deboronation Reactions and Hydrogen-bonded Closo-carborane Systems. Journal of Cluster Science, 17(1), 119-137. https://doi.org/10.1007/s10876-005-0042-9

Electronic interactions in bridged bis(cluster) assemblies - a comparison of para-CB10H10C, para-C6H4 and C-4 bridges (2005)
Journal Article
Le Guennic, B., Costuas, K., Halet, J., Nervi, C., Paterson, M., Fox, M., …Low, P. (2005). Electronic interactions in bridged bis(cluster) assemblies - a comparison of para-CB10H10C, para-C6H4 and C-4 bridges. Comptes rendus. Chimie, 8(11-12), 1883-1896. https://doi.org/10.1016/j.crci.2005.03.016

The electrochemical response of bis-Co2C2(CO)(4)(mu-dppm) complexes featuring bridging para-CB10H10C (5) and para-C6H4 (6) moieties are similar, each exhibiting two oxidations separated by ca. 100 mV, and two reductions separated by 80 mV, evidencing... Read More about Electronic interactions in bridged bis(cluster) assemblies - a comparison of para-CB10H10C, para-C6H4 and C-4 bridges.

Elemental fluorine - Part 18. Selective direct fluorination of 1,3-ketoesters and 1,3-diketones using gas/liquid microreactor technology (2005)
Journal Article
Chambers, R., Fox, M., & Sandford, G. (2005). Elemental fluorine - Part 18. Selective direct fluorination of 1,3-ketoesters and 1,3-diketones using gas/liquid microreactor technology. Lab on a Chip, 5(10), 1132-1139. https://doi.org/10.1039/b504675k

1,3-Ketoesters and 1,3-diketones react with fluorine gas, using Durham multichannel modular microreactor technology, on a preparatively useful scale. High conversions and yields of monofluorinated products were obtained. A consideration of the mechan... Read More about Elemental fluorine - Part 18. Selective direct fluorination of 1,3-ketoesters and 1,3-diketones using gas/liquid microreactor technology.

Versatile gas/liquid microreactors for industry (2005)
Journal Article
Chambers, R., Fox, M., Holling, D., Nakano, T., Okazoe, T., & Sandford, G. (2005). Versatile gas/liquid microreactors for industry. Chemical Engineering & Technology, 28(3), 344-352. https://doi.org/10.1002/ceat.200407123

The design, fabrication, use and scale-out of versatile, multi-channel gas/liquid microreactors, which are suitable for both laboratory and industrial syntheses, are described. Direct fluorination reactions of diethyl malonate and Meldrum's acid usin... Read More about Versatile gas/liquid microreactors for industry.

Elemental fluorine - Part 16. Versatile thin-film gas-liquid multi-channel microreactors for effective scale-out (2005)
Journal Article
Chambers, R., Fox, M., Holling, D., Nakano, T., Okazoe, T., & Sandford, G. (2005). Elemental fluorine - Part 16. Versatile thin-film gas-liquid multi-channel microreactors for effective scale-out. Lab on a Chip, 5(2), 191-198. https://doi.org/10.1039/b416400h

Versatile and conveniently operated microreactor devices, suitable for long term chemical synthesis for both laboratory and industrial use, are described. Direct fluorination of ethyl acetoacetate by fluorine gas is used as a model reaction to illust... Read More about Elemental fluorine - Part 16. Versatile thin-film gas-liquid multi-channel microreactors for effective scale-out.

Sulfur, tin and gold derivatives of 1-(2′-pyridyl)-ortho-carborane, 1-R-2-X-1,2-C2B10H10 (R = 2′-pyridyl, X = SH, SnMe3 or AuPPh3) (2004)
Journal Article
Batsanov, A., Fox, M., Hibbert, T., Howard, J., Kivekäs, R., Laromaine, A., …Wade, K. (2004). Sulfur, tin and gold derivatives of 1-(2′-pyridyl)-ortho-carborane, 1-R-2-X-1,2-C2B10H10 (R = 2′-pyridyl, X = SH, SnMe3 or AuPPh3). Dalton Transactions, 2004(22), 3822-3828. https://doi.org/10.1039/b411099d

Reaction of the lithium salt of 1-(2′-pyridyl)-ortho-carborane, Li[1-R-1,2-C2B10H10] (R = 2′-NC5H4), with sulfur, followed by hydrolysis, gave the mercapto-o-carborane, 1-R-2-SH-1,2-C2B10H10 which forms chiral crystals containing helical chains of mo... Read More about Sulfur, tin and gold derivatives of 1-(2′-pyridyl)-ortho-carborane, 1-R-2-X-1,2-C2B10H10 (R = 2′-pyridyl, X = SH, SnMe3 or AuPPh3).

Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions (2004)
Journal Article
Boyd, L., Clegg, W., Copley, R., Davidson, M., Fox, M., Hibbert, T., …Wade, K. (2004). Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions. Dalton Transactions, 2004(17), 2786-2799. https://doi.org/10.1039/b406422d

The structures of derivatives of phenyl-ortho-carborane bearing on the second cage hypercarbon atom a pi-donor substituent (F, OH, O-, NH2, NH- and CH2-) were investigated by NMR, X-ray crystallography and computational studies. The molecular structu... Read More about Exo-π-bonding to an ortho-carborane hypercarbon atom: systematic icosahedral cage distortions reflected in the structures of the fluoro-, hydroxy- and amino-carboranes, 1-X-2-Ph-1,2-C2B10H10 (X = F, OH or NH2) and related anions.

Cage C---H...X interactions in solid-state structures of icosahedral carboranes (2004)
Journal Article
Fox, M., & Hughes, A. (2004). Cage C---H...X interactions in solid-state structures of icosahedral carboranes. Coordination Chemistry Reviews, 248(5-6), 457-476. https://doi.org/10.1016/j.ccr.2003.10.002

This review probes C---HX interactions involving the acidic cage-carbon C---H bonds in ortho-, meta- and para-carboranes, closo-C2B10H12, and their derivatives, by examining the structurally characterised examples from the Cambridge Structural Databa... Read More about Cage C---H...X interactions in solid-state structures of icosahedral carboranes.

Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine (2004)
Journal Article
Entwistle, C., Batsanov, A., Howard, J., Fox, M., & Marder, T. (2004). Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine. Chemical Communications, 702-703

Reaction of 2,5-diethynylpyridine with dimesitylborane, [(Mes)(2)BH](2) (Mes = mesityl = 2,4,6-Me3C6H2), gave the unexpected tris-hydroboration product 1-{(Mes)(2)B)-2-[Z-1-((Mes)(2)B)ethylidene]-5-[E-{(Mes)(2)B)vinyl]-1,2-d ihydropyridine, which has... Read More about Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine.

The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12) (2004)
Journal Article
Venkatasubramanian, U., Donohoe, D., Ellis, D., Giles, B., Macgregor, S., Robertson, S., …Wade, K. (2004). The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12). Polyhedron, 23(4), 629-636

The structures of 1-Me-2-COOH-1,2-closo-C2B10H10 (1), 1-Ph-2-COOH-1,2-closo-C2B10H10 (2) and 1-Ph-2-COPh-1,2-closo-C2B10H10 (3) have been determined by X-ray crystallography. In 1 the orientation of the COOH group is defined by theta(COOH) = 65.0(2)(... Read More about The synthesis and molecular and crystal structures of 1-methyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12), 1-phenyl-2-carboxy-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-2-benzoyl-1,2-dicarba-closo-dodecaborane(12).

Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF₃)₃C₆H₂(fluoromes = Ar), 2,6-(CF₃)₂C₆H₃ (fluoroxyl = Ar '), or 2,4-(CF₃)₂C₆H₃ (Ar '') ligands (2003)
Journal Article
Cornet, S., Dillon, K., Entwistle, C., Fox, M., Goeta, A., Goodwin, H., …Thompson, A. (2003). Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF₃)₃C₆H₂(fluoromes = Ar), 2,6-(CF₃)₂C₆H₃ (fluoroxyl = Ar '), or 2,4-(CF₃)₂C₆H₃ (Ar '') ligands. Dalton Transactions, 4395-4405. https://doi.org/10.1039/b309820f

Several new boron compounds containing the 2,4,6-(CF3)(3)C6H2 (fluoromes=Ar), 2,6-(CF3)(2)C6H3 (fluoroxyl=Ar') or 2,4-(CF3)(2)C6H3(Ar") ligands have been synthesised from reactions of ArLi, Ar'Li or Ar"Li with BCl3, and characterised by F-19 and B-11... Read More about Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF₃)₃C₆H₂(fluoromes = Ar), 2,6-(CF₃)₂C₆H₃ (fluoroxyl = Ar '), or 2,4-(CF₃)₂C₆H₃ (Ar '') ligands.

Evolving patterns in boron cluster chemistry (2003)
Journal Article
Fox, M., & Wade, K. (2003). Evolving patterns in boron cluster chemistry. Pure and Applied Chemistry, 75(9), 1315-1323. https://doi.org/10.1351/pac200375091315

This paper outlines the development of our knowledge and understanding of the structures and bonding of boron cluster compounds, with particular reference to the evolving complementary roles localized bonding and molecular orbital treatments have pla... Read More about Evolving patterns in boron cluster chemistry.

Big macrocyclic assemblies of carboranes (big MACs): synthesis and crystal structure of a macrocyclic assembly of four carboranes containing alternate ortho- and meta-carborane icosahedra linked by para-phenylene units. (2003)
Journal Article
Fox, M., Howard, J., MacBride, J., Mackinnon, A., & Wade, K. (2003). Big macrocyclic assemblies of carboranes (big MACs): synthesis and crystal structure of a macrocyclic assembly of four carboranes containing alternate ortho- and meta-carborane icosahedra linked by para-phenylene units. Journal of Organometallic Chemistry, 680(1-2), 155-164. https://doi.org/10.1016/s0022-328x%2803%2900313-9

The macrocyclic compound, [1,2-C2B10H10-1,4-C6H4-1,7-C2B10H10-1,4-C6H4](2) (5)-a novel cyclooctaphane, was prepared by condensation of the C,C'-dicopper(l) derivative of meta-carborane with 1,2-bis(4-iodophenyl)-ortho-carborane. The X-ray crystal str... Read More about Big macrocyclic assemblies of carboranes (big MACs): synthesis and crystal structure of a macrocyclic assembly of four carboranes containing alternate ortho- and meta-carborane icosahedra linked by para-phenylene units..

Dimesitylborane monomer-dimer equilibrium in solution, and the solid-state structure of the dimer by single crystal neutron and X-ray diffraction. (2003)
Journal Article
Entwistle, C., Marder, T., Smith, P., Howard, J., Fox, M., & Mason, S. (2003). Dimesitylborane monomer-dimer equilibrium in solution, and the solid-state structure of the dimer by single crystal neutron and X-ray diffraction. Journal of Organometallic Chemistry, 680(1-2), 165-172. https://doi.org/10.1016/s0022-328x%2803%2900316-4

Dimesitylborane dimer has been shown to exist in equilibrium with dimesitylborane monomer in Solution. This equilibrium has been investigated by variable concentration and variable temperature multinuclear NMR spectroscopy and values for the dissocia... Read More about Dimesitylborane monomer-dimer equilibrium in solution, and the solid-state structure of the dimer by single crystal neutron and X-ray diffraction..

Synthesis and crystal structure of an assembly of three ortho-carborane cages linked via para-phenylene units: effect of aryl orientation on cage C-C bond lengths in C-aryl-ortho-carboranes (2003)
Journal Article
Alekseyeva, E., Fox, M., Howard, J., MacBride, J., & Wade, K. (2003). Synthesis and crystal structure of an assembly of three ortho-carborane cages linked via para-phenylene units: effect of aryl orientation on cage C-C bond lengths in C-aryl-ortho-carboranes. Applied Organometallic Chemistry, 17(6-7), 499-508. https://doi.org/10.1002/aoc.467

The synthesis and crystal and molecular structure are described Of (C2B10H11)C6H4(C2B10H10)C6H4 (C2B10H11) (4), an acyclic assembly of three ortho-carborane units connected through their carbon atoms by two para-phenylene units. For this compound, an... Read More about Synthesis and crystal structure of an assembly of three ortho-carborane cages linked via para-phenylene units: effect of aryl orientation on cage C-C bond lengths in C-aryl-ortho-carboranes.

9,12-Di­iodo-1,2-dicarba-closo-dodecaborane(12) (2003)
Journal Article
Batsanov, A., Fox, M., Howard, J., Hughes, A., Johnson, A., & Martindale, S. (2003). 9,12-Di­iodo-1,2-dicarba-closo-dodecaborane(12). Acta Crystallographica Section C: Structural Chemistry, 59(2), O74-O76. https://doi.org/10.1107/s0108270102023582

The title compound, C2H10B10I2, has a pseudo-icosahedral cluster geometry. The crystal structure features an intermole­cular C-H...I-B hydrogen bond with a normalized H...I distance of 3.00 Å.

Intra- and inter-molecular carboranyl C-H center dot center dot center dot N hydrogen bonds in pyridyl-containing ortho-carboranes (2003)
Journal Article
Alekseyeva, E., Batsanov, A., Boyd, L., Fox, M., Hibbert, T., Howard, J., …Wade, K. (2003). Intra- and inter-molecular carboranyl C-H center dot center dot center dot N hydrogen bonds in pyridyl-containing ortho-carboranes. Dalton Transactions, 475-482

Four C-substituted derivatives of ortho-carborane, 1-R-1,2-C2B10H11, where R = 2'-pyridyl (1), 2'-picolyl (2), 5'-bromo-2'-pyridyl (3) or 3'-pyridyl (4) have been prepared using adaptations of standard procedures, and structurally characterised by si... Read More about Intra- and inter-molecular carboranyl C-H center dot center dot center dot N hydrogen bonds in pyridyl-containing ortho-carboranes.

Model compounds and monomers for phenylene ether carboranylene ketone (PECK) polymer synthesis: preparation and characterization of boron-arylated ortho-carboranes bearing carboxyphenyl, phenoxyphenyl or benzoylphenyl substituents (2002)
Journal Article
Fox, M., & Wade, K. (2002). Model compounds and monomers for phenylene ether carboranylene ketone (PECK) polymer synthesis: preparation and characterization of boron-arylated ortho-carboranes bearing carboxyphenyl, phenoxyphenyl or benzoylphenyl substituents. Journal of materials chemistry, 12(5), 1301-1306

Fourteen new derivatives of ortho-carborane, 1,2-C2B10H12, have been prepared containing functionalized aryl groups attached to one or both of the boron atoms (B9 and B12) antipodal to the carbon atoms, in order to test the suitability of such specie... Read More about Model compounds and monomers for phenylene ether carboranylene ketone (PECK) polymer synthesis: preparation and characterization of boron-arylated ortho-carboranes bearing carboxyphenyl, phenoxyphenyl or benzoylphenyl substituents.

Halogenation of tris(amido)tantalacarboranes with dihalomethanes CH2X2 (X = Cl, Br) (2002)
Journal Article
Fox, M., Goeta, A., Hughes, A., Malget, J., & Wade, K. (2002). Halogenation of tris(amido)tantalacarboranes with dihalomethanes CH2X2 (X = Cl, Br)

Slow reactions of isomeric metallacarboranes of general formulae [(NMe2)(3)TaC2B9H11] (3 isomers) and [(NMe2)(3) TaC2B9H10Me] (3 isomers) with CD2Cl2 afford quantitative yields of monochloro complexes [Cl(NMe2)(2)TaC2B9H11] and [Cl(NMe2)(2) TaC2B9H10... Read More about Halogenation of tris(amido)tantalacarboranes with dihalomethanes CH2X2 (X = Cl, Br).

Cage-closing reactions of the nido-carborane anion 7,9-C2B9H12− and derivatives; formation of neutral 11-vertex carboranes by acidification. (2002)
Journal Article
Fox, M., Hughes, A., & Malget, J. (2002). Cage-closing reactions of the nido-carborane anion 7,9-C2B9H12− and derivatives; formation of neutral 11-vertex carboranes by acidification. Journal of the Chemical Society. Dalton transactions (2001. Online), 2002(18), 3505-3517. https://doi.org/10.1039/b203920f

Reactions of the nido-carborane salts (Bu4N)(nido-7,9-R,R′-7,9-C2B9H10) (R,R′ = H; R,R′ = Me; R,R′ = Ph; R = Ph, R′ = Me) with H2SO4 at ambient temperature give the 11-vertex closo-carboranes 2,3-R,R′-2,3-C2B9H9 in high yields (R,R′ = H; R,R′ = Me; R... Read More about Cage-closing reactions of the nido-carborane anion 7,9-C2B9H12− and derivatives; formation of neutral 11-vertex carboranes by acidification..

Carbon-boron-nitrogen alloys from borazarene-derived mesophase pitches. (2002)
Journal Article
Westwood, A., Brydson, R., Coult, R., Fox, M., Rand, B., & Wade, K. (2002). Carbon-boron-nitrogen alloys from borazarene-derived mesophase pitches. Carbon, 40(12), 2157-2167. https://doi.org/10.1016/s0008-6223%2802%2900064-7

Synthetic routes to new C–B–N-containing mesophase materials from borazarene-type precursors have been explored. Such mesophases have the potential for forming C/BN alloys which could be processed in analogous ways to carbonaceous mesophases, e.g. in... Read More about Carbon-boron-nitrogen alloys from borazarene-derived mesophase pitches..

Do the discrete dianions C2B9H112- exist? Characterisation of alkali metal salts of the 11-vertex nido dicarboranes, C2B9H112-, in solution (2002)
Journal Article
Fox, M., Hughes, A., Johnson, A., & Paterson, M. (2002). Do the discrete dianions C2B9H112- exist? Characterisation of alkali metal salts of the 11-vertex nido dicarboranes, C2B9H112-, in solution. Journal of the Chemical Society. Dalton transactions (2001. Online), 2002(9), 2009-2019. https://doi.org/10.1039/b109804g

Detailed experimental solution-state NMR data are reported for the nine moisture-sensitive salts of M2C2B9H11 (M = Li, Na, K) 1–9 generated by deprotonation of 7,8-C2B9H13, 7,9-C2B9H12− and 2,9-C2B9H13 by butyllithium, sodium hydride and potassium hy... Read More about Do the discrete dianions C2B9H112- exist? Characterisation of alkali metal salts of the 11-vertex nido dicarboranes, C2B9H112-, in solution.

Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9 C₂B₉H₁₂ (2002)
Journal Article
Fox, M., Goeta, A., Hughes, A., & Johnson, A. (2002). Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9 C₂B₉H₁₂. Dalton Transactions, 10, 2132-2141. https://doi.org/10.1039/b108937d

Deboronation of meta-carborane, closo-1,7-C2B10H12, with refluxing piperidine results in the quantitative formation of [(C5H10NH)(2)H+](nido-7,9-C2B9H12-) whose structure was determined by X-ray diffraction. Heating under vacuum liberates piperidine... Read More about Crystal and molecular structures of the nido-carborane anions, 7,9- and 2,9 C₂B₉H₁₂.

Phosphine promoted substituent redistribution reactions of B- chlorocatechol borane: Molecular structures of ClBcat, BrBcat and L center dot ClBcat (cat=1,2-O2C6H4; L = PMe3, PEt3, PBu3t, PCy3, NEt3) (2001)
Journal Article
Coapes, R., Souza, F., Fox, M., Batsanov, A., Goeta, A., Yufit, D., …Marder, T. (2001). Phosphine promoted substituent redistribution reactions of B- chlorocatechol borane: Molecular structures of ClBcat, BrBcat and L center dot ClBcat (cat=1,2-O2C6H4; L = PMe3, PEt3, PBu3t, PCy3, NEt3). Dalton Transactions, 1201-1209

In order to evaluate the potential for side reactions when using B-chlorocatechol borane (ClBcat) in stoichiometric or catalytic transformations involving metal phosphine complexes, we examined the interaction between ClBcat and a series of PR3 compo... Read More about Phosphine promoted substituent redistribution reactions of B- chlorocatechol borane: Molecular structures of ClBcat, BrBcat and L center dot ClBcat (cat=1,2-O2C6H4; L = PMe3, PEt3, PBu3t, PCy3, NEt3).

Electrochemical evidence for electronic interactions through the para-carborane skeleton in the novel tricluster [{Co2C2(SiMe3)(CO)4(dppm)}2(μ-CB10H10C)] (2001)
Journal Article
Fox, M., Paterson, M., Nervi, C., Galeotti, F., Puschmann, H., Howard, J., & Low, P. (2001). Electrochemical evidence for electronic interactions through the para-carborane skeleton in the novel tricluster [{Co2C2(SiMe3)(CO)4(dppm)}2(μ-CB10H10C)]. Chemical Communications, 2001(17), 1610-1611. https://doi.org/10.1039/b104307m

The electrochemical properties of the title compound reveal electronic interactions between two dicobalt-dicarbon clusters via a 1,12-para-carborane cage.

Synthesis of isomeric B-methylated tantalum carboranes, (Me₂N)₃TaC₂B₉H₁₀Me (2001)
Journal Article
Fox, M., Howard, J., Hughes, A., Malget, J., & Yufit, D. (2001). Synthesis of isomeric B-methylated tantalum carboranes, (Me₂N)₃TaC₂B₉H₁₀Me. Dalton Transactions, 2263-2269. https://doi.org/10.1039/b103353k

The cage-alkylated metallacarborane complex [4,4,4-(NMe2)(3)-3- Me-4,1,2-closo-TaC2B9H10] 8, is obtained as the only product from the reaction of Ta(NMe2)(5) with nido-11-Me-2,7-C2B9H12 4, which is prone to skeletal rearrangement under basic conditio... Read More about Synthesis of isomeric B-methylated tantalum carboranes, (Me₂N)₃TaC₂B₉H₁₀Me.

The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene) (2001)
Journal Article
Fox, M., Goeta, A., Howard, J., Hughes, A., Johnson, A., Keen, D., …Wilson, C. (2001). The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene). Inorganic Chemistry, 40(1), 173-+

A neutron diffraction study of the salt (PSH+)(nido-7 8- C2B9H12-) reveals the unsymmetrically bridging site of the endo hydrogen in the carborane anion. This is the first neutron diffraction structure determination of a cluster borane or carborane c... Read More about The molecular structure of (PSH+)(nido-7,8-C2B9H12-) determined by neutron diffraction (PS = proton sponge, 1,8- bis(dimethylamino)naphthalene).

Why are B2O2 rings rare? (2000)
Journal Article
Fox, M. (2000). Why are B2O2 rings rare?. Chemical Communications, 2217-2218

Transmission of electronic effects by icosahedral carboranes: skeletal carbon-13 chemical shifts and ultraviolet-visible spectra of substituted aryl-p-carboranes (1,12-dicarba-closo-dodecaboranes) (1998)
Journal Article
Wade, K., Fox, M., McBride, J., & Peace, R. (1998). Transmission of electronic effects by icosahedral carboranes: skeletal carbon-13 chemical shifts and ultraviolet-visible spectra of substituted aryl-p-carboranes (1,12-dicarba-closo-dodecaboranes). Dalton Transactions, 1998(3), 401-411

Gas-phase reaction of tetrahorane(10) with allene: The fluxional arachno-1-carbapentaborane(10) isomeric system and derivatives 1,2- and 1,3-Me-2-1-CB4H8; analogies in 1-CB4H10, MeB5H10, and B5H10- (1997)
Journal Article
Fox, M. (1997). Gas-phase reaction of tetrahorane(10) with allene: The fluxional arachno-1-carbapentaborane(10) isomeric system and derivatives 1,2- and 1,3-Me-2-1-CB4H8; analogies in 1-CB4H10, MeB5H10, and B5H10-. Angewandte Chemie International Edition, 36(13-14), 1498-1501. https://doi.org/10.1002/anie.199714981

Some boron-containing ring systems (1997)
Journal Article
Fox, M. (1997). Some boron-containing ring systems. Phosphorus, Sulfur, and Silicon and the Related Elements, 125, 73-82