All Outputs (190)

Exciplex, Not Heavy-Atom Effect, Controls the Triplet Dynamics of a Series of Sulfur-Containing Thermally Activated Delayed Fluorescence Molecules (2024)
Journal Article
Öner, S., Kuila, S., Stavrou, K., Danos, A., Fox, M. A., Monkman, A. P., & Bryce, M. R. (2024). Exciplex, Not Heavy-Atom Effect, Controls the Triplet Dynamics of a Series of Sulfur-Containing Thermally Activated Delayed Fluorescence Molecules. Chemistry of Materials, 36(15), 7135-7150. https://doi.org/10.1021/acs.chemmater.4c00850

The efficiency of thermally activated delayed fluorescence (TADF) in organic materials relies on rapid intersystem crossing rates and fast conversion of triplet (T) excitons into a singlet (S) state. Heavy atoms such as sulfur or selenium are now fre... Read More about Exciplex, Not Heavy-Atom Effect, Controls the Triplet Dynamics of a Series of Sulfur-Containing Thermally Activated Delayed Fluorescence Molecules.

Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes (2024)
Journal Article
Wu, L., Holzapfel, M., Schmiedel, A., Peng, F., Moos, M., Mentzel, P., Shi, J., Neubert, T., Bertermann, R., Finze, M., Fox, M. A., Lambert, C., & Ji, L. (2024). Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ carboranes. Nature Communications, 15(1), Article 3005. https://doi.org/10.1038/s41467-024-47384-4

Icosahedral carboranes, C₂ B₁₀ H₁₂, 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 b... Read More about Optically induced charge-transfer in donor-acceptor-substituted p - and m - C₂ B₁₀ H₁₂ 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.-T., Fox, M. A., Yufit, D., Beeby, A., & Davidson, R. J. (online). 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.

Synthetic, Structural, and Computational Studies on Heavier Tetragen and Chalcogen Triazenide Complexes (2019)
Journal Article
Flanagan, K. R., Parish, J. D., Fox, M. A., & Johnson, A. L. (2019). Synthetic, Structural, and Computational Studies on Heavier Tetragen and Chalcogen Triazenide Complexes. Inorganic Chemistry, 58(24), 16660-16666. https://doi.org/10.1021/acs.inorgchem.9b02757

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.