Luminescent Complexes of Iridium(III) Containing N∧C∧N-Coordinating Terdentate Ligands (2006)
Journal Article
Wilkinson, A., Puschman, H., Howard, J., Foster, C., & Williams, J. (2006). Luminescent Complexes of Iridium(III) Containing N∧C∧N-Coordinating Terdentate Ligands. Inorganic Chemistry, 45(21), 8685-8699. https://doi.org/10.1021/ic061172l

A family of bis-terdentate iridium(III) complexes is reported which contain a cyclometalated, NCN-coordinating 1,3-di(2-pyridyl)benzene derivative. This coordination mode is favored by blocking competitive cyclometalation at the C4 and C6 positions o... Read More about Luminescent Complexes of Iridium(III) Containing N∧C∧N-Coordinating Terdentate Ligands.

Synthesis and structure of an unusual di-rhodium diarylbutadiyne pi-complex featuring a mu-(1,2-eta(2)):(3,4-eta(2))-p-CF3C6H4-C C-C C-C6H4-p-CF3 moiety. (2006)
Journal Article
Ward, R., Batsanov, A., Howard, J., & Marder, T. (2006). Synthesis and structure of an unusual di-rhodium diarylbutadiyne pi-complex featuring a mu-(1,2-eta(2)):(3,4-eta(2))-p-CF3C6H4-C C-C C-C6H4-p-CF3 moiety. Inorganica Chimica Acta, 359(11), 3671-3676. https://doi.org/10.1016/j.ica.2005.12.018

Reaction of the salt [Rh(PMe3)4]Cl (1) with p-F3C–C6H4–Ctriple bond; length of mdashC–Ctriple bond; length of mdashC–C6H4-p-CF3 (2) in THF gives a mixture of two related neutral π-bound diyne complexes of [Rh(PMe3)3Cl], each having two distinct CF3 r... Read More about Synthesis and structure of an unusual di-rhodium diarylbutadiyne pi-complex featuring a mu-(1,2-eta(2)):(3,4-eta(2))-p-CF3C6H4-C C-C C-C6H4-p-CF3 moiety..

Crystal engineering with ethynylbenzenes Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z '=12 and a single-crystal to single-crystal phase transition at 122.5 +/- 2 K (2006)
Journal Article
Batsanov, A., Collings, J., Ward, R., Goeta, A., Porres, L., Beeby, A., …Marder, T. (2006). Crystal engineering with ethynylbenzenes Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z '=12 and a single-crystal to single-crystal phase transition at 122.5 +/- 2 K. CrystEngComm, 8, 622-628. https://doi.org/10.1039/b606327f

The crystal and molecular structures of 4-ethynyl-N,N-dimethylaniline (1), and 4-(trimethylsilylethynyl)-N,N-dimethylaniline (2), have been obtained from X-ray diffraction data. Crystals of 1 exhibit a phase transition at 122.5 ± 2 K. Both polymorphs... Read More about Crystal engineering with ethynylbenzenes Part 2. Structures of 4-trimethylsilylethynyl-N,N-dimethylaniline, and 4-ethynyl-N,N-dimethylaniline with Z '=12 and a single-crystal to single-crystal phase transition at 122.5 +/- 2 K.

Synthesis of new mer,trans-rhodium(III) hydrido-bis(acetylide) complexes: Structure of mer,trans- (PMe3)(3)Rh(C equivalent to C-C6H4-4-NMe2)(2)H (2006)
Journal Article
Zhu, X., Ward, R., Albesa-Jove, D., Howard, J., Porres, L., Beeby, A., …Marder, T. (2006). Synthesis of new mer,trans-rhodium(III) hydrido-bis(acetylide) complexes: Structure of mer,trans- (PMe3)(3)Rh(C equivalent to C-C6H4-4-NMe2)(2)H. Inorganica Chimica Acta, 359(9), 2859-2863. https://doi.org/10.1016/j.ica.2005.11.030

Terminal alkynes (R–Ctriple bond; length of mdashC–H, R = 1-naphthyl, 9-anthryl, 4-Me2N–C6H4–, or the longer analogue, 4-(4-Me2N–C6H4–Ctriple bond; length of mdashC–)–C6H4–) react with [Rh(PMe3)4Me] at ambient temperature, with loss of methane and on... Read More about Synthesis of new mer,trans-rhodium(III) hydrido-bis(acetylide) complexes: Structure of mer,trans- (PMe3)(3)Rh(C equivalent to C-C6H4-4-NMe2)(2)H.

Metal cluster terminated "molecular wires" (2006)
Journal Article
Khairul, W., Porres, L., Albesa-Jove, D., Senn, M., Jones, M., Lydon, D., …Low, P. (2006). Metal cluster terminated "molecular wires". Journal of Cluster Science, 17(1), 65-85. https://doi.org/10.1007/s10876-005-0041-x

The gold complexes Au(C≡CC6H4C≡CC6H4Me)(PPh3) (3) and {Au(PPh3)}2(μ-C≡CC6H4C≡CC6H4C≡CC6H4C≡C) (6), prepared from the reaction of AuCl(PPh3) with the corresponding terminal or trimethylsilyl protected alkynes, react readily with Ru3(CO)10(μ-dppm) to a... Read More about Metal cluster terminated "molecular wires".

Synthesis, crystal structures, linear and nonlinear optical properties, and theoretical studies of (p-R-phenyl)-, (p-R-phenylethynyl)-, and (E)-[2-(p-R-phenyl)ethenyl]dimesitylboranes and related compounds (2006)
Journal Article
Yuan, Z., Entwistle, C., Collings, J., Albesa-Jove, D., Batsanov, A., Howard, J., …Marder, T. (2006). Synthesis, crystal structures, linear and nonlinear optical properties, and theoretical studies of (p-R-phenyl)-, (p-R-phenylethynyl)-, and (E)-[2-(p-R-phenyl)ethenyl]dimesitylboranes and related compounds. Chemistry - A European Journal, 12(10), 2758-2771. https://doi.org/10.1002/chem.200501096

The (p-R-phenyl)dimesitylboranes (R=Me2N, MeO, MeS, Br, I), (p-R-phenylethynyl)dimesitylboranes (R=Me2N, MeO, MeS, H), (E)-[2-(p-R-phenyl)ethenyl]dimesitylboranes (R=Me2N, H2N, MeO, MeS, H, CN, NO2), (E)-[2-(2-thienyl)ethenyl]dimesitylborane, and (E)... Read More about Synthesis, crystal structures, linear and nonlinear optical properties, and theoretical studies of (p-R-phenyl)-, (p-R-phenylethynyl)-, and (E)-[2-(p-R-phenyl)ethenyl]dimesitylboranes and related compounds.

Arene-perfluoroarene interactions in crystal engineering. Part 14. 1 : 1 Complexes of octafluoronaphthalene with fluorene and 9,10-dihydrophenanthrene (2006)
Journal Article
Collings, J., Batsanov, A., Howard, J., & Marder, T. (2006). Arene-perfluoroarene interactions in crystal engineering. Part 14. 1 : 1 Complexes of octafluoronaphthalene with fluorene and 9,10-dihydrophenanthrene. Canadian Journal of Chemistry, 84(2), 238-242. https://doi.org/10.1139/v06-007

The 1:1 molecular complexes of octafluoronaphthalene (OFN) with fluorene (1) and with 9,10-dihydrophenanthrene (2) were prepared by cocrystallization of the components and characterized by single-crystal X-ray diffraction. The structure of 1 can be d... Read More about Arene-perfluoroarene interactions in crystal engineering. Part 14. 1 : 1 Complexes of octafluoronaphthalene with fluorene and 9,10-dihydrophenanthrene.

Synthesis and reactivity of cobalt boryl complexes. (2006)
Journal Article
Adams, C., Baber, R., Batsanov, A., Bramham, G., Charmant, J., Haddow, M., …Orpen, A. (2006). Synthesis and reactivity of cobalt boryl complexes. Dalton Transactions, 11, 1370-1373. https://doi.org/10.1039/b516594f

The reaction between [Co(PMe3)4] and B2(4-Mecat)2 (4-Mecat = 1,2-O2-4-MeC6H3) or between [Co(PMe2Ph)4] and B2(cat)2 (cat = 1,2-O2C6H4) affords the paramagnetic Co(II) bisboryl complexes [Co(PMe3)3{B(4-Mecat)}2] and [Co(PMe2Ph)3{B(cat)}2] respectively... Read More about Synthesis and reactivity of cobalt boryl complexes..

Ir-Catalyzed borylation of C-H bonds in N-containing heterocycles: Regioselectivity in the synthesis of heteroaryl boronate esters (2006)
Journal Article
Ibraheem, A., Mkhalid, D., A-J. Coventry, D., Batsanov, A., Howard, J., Perutz, R., & Marder, T. (2006). Ir-Catalyzed borylation of C-H bonds in N-containing heterocycles: Regioselectivity in the synthesis of heteroaryl boronate esters. Angewandte Chemie International Edition, 45(3), 489-491. https://doi.org/10.1002/anie.200503047

Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans (2004)
Journal Article
Smith, C., Smith, P., Thomas, R., Robins, E., Collings, J., Dai, C., …Marder, T. (2004). Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans. Journal of materials chemistry, 14(3), 413-420. https://doi.org/10.1039/b314094f

The compounds 4-ROC6F4C[triple bond, length as m-dash]CPh (4) where R = Me (a), Et (b), Prn (c), Pri (d), Bun (e), n-C5H11 (f), PhCH2 (g), PhCH2CH2 (h), 4-MeC6H4 (i), 4-EtC6H4 (j) and menthyl (k), have been prepared by reaction of C6F5C[triple bond,... Read More about Arene-perfluoroarene interactions in crystal engineering: structural preferences in polyfluorinated tolans.

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.

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..

Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons (2002)
Journal Article
Collings, J., Roscoe, K., Robins, E., Batsanov, A., Stimson, L., Howard, J., …Marder, T. (2002). Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry, 26(12), 1740-1746. https://doi.org/10.1039/b207102a

A series of 1:1 complexes of hexafluorobenzene (HFB) with naphthalene, anthracene, phenanthrene, pyrene and triphenylene were prepared and their X-ray crystal structures determined at low temperatures. Each structure contains infinite mixed stacks of... Read More about Arene-perfluoroarene interactions in crystal engineering 8: structures of 1 : 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons.

Structural, luminescence, and NMR studies of the reversible binding of acetate, lactate, citrate, and selected amino acids to chiral diaqua ytterbium, gadolinium, and europium complexes (2002)
Journal Article
Dickins, R., Aime, S., Batsanov, A., Beeby, A., Botta, M., Bruce, J., …Puschmann, H. (2002). Structural, luminescence, and NMR studies of the reversible binding of acetate, lactate, citrate, and selected amino acids to chiral diaqua ytterbium, gadolinium, and europium complexes. Journal of the American Chemical Society, 124(43), 12697-12705. https://doi.org/10.1021/ja020836x

The nature of the ternary complexes formed in aqueous media at ambient pH on reversible binding of acetate, lactate, citrate, and selected amino acids and peptides to chiral diaqua europium, gadolinium, or ytterbium cationic complexes has been examin... Read More about Structural, luminescence, and NMR studies of the reversible binding of acetate, lactate, citrate, and selected amino acids to chiral diaqua ytterbium, gadolinium, and europium complexes.

Protonation and subsequent intramolecular hydrogen bonding as a method to control chain structure and tune luminescence in heteroatomic conjugated polymers (2002)
Journal Article
Monkman, A., Pålsson, L., Higgins, R., Wang, C., Bryce, M., Batsanov, A., & Howard, J. (2002). Protonation and subsequent intramolecular hydrogen bonding as a method to control chain structure and tune luminescence in heteroatomic conjugated polymers. Journal of the American Chemical Society, 124(21), 6049-6055. https://doi.org/10.1021/ja012409%2B

We report the effects of protonation on the structural and spectroscopic properties of 1,4-dimethoxy-2,5-bis(2-pyridyl)benzene (9) and the related AB coploymer poly{2,5-pyridylene-co-1,4-[2,5- bis(2-ethylhexyloxy)]phenylene} (7). X-ray crystallograph... Read More about Protonation and subsequent intramolecular hydrogen bonding as a method to control chain structure and tune luminescence in heteroatomic conjugated polymers.

Supramolecular architecture of two charge-transfer complexes based on 2,7-(X,X)-4,5-dinitro-9-dicyanomethylenefluorenes (X=NO2 or CN) and tetrathiafulvalene (2002)
Journal Article
Kuz'mina, L., Perepichka, I., Perepichka, D., Howard, J., & Bryce, M. (2002). Supramolecular architecture of two charge-transfer complexes based on 2,7-(X,X)-4,5-dinitro-9-dicyanomethylenefluorenes (X=NO2 or CN) and tetrathiafulvalene. Crystallography Reports, 47(2), 251-261

The crystal packings of two charge-transfer complexes based on tetrathiafulvalene and substituted fluorenes-2,4,5,7-tetranitro-9-dicyanomethylenefluorene (in complex 1) or 2,7-dicyano-4,5-dinitro-9-dicyanomethylenefluorene (in complex II)-are analyze... Read More about Supramolecular architecture of two charge-transfer complexes based on 2,7-(X,X)-4,5-dinitro-9-dicyanomethylenefluorenes (X=NO2 or CN) and tetrathiafulvalene.

Charge-density study of the nonlinear optical precursor DED-TCNQ at 20 K (2002)
Journal Article
Cole, J., Copley, R., McIntyre, G., Howard, J., Szablewski, M., & Cross, G. (2002). Charge-density study of the nonlinear optical precursor DED-TCNQ at 20 K. Physical review B, 65(12), https://doi.org/10.1103/physrevb.65.125107

A charge-density study of the nonlinear-optical (NLO) precursor {4-[bis(diethylamino)-methylium] phenyl}dicyanomethanide (DED-TCNQ), space group P21/c, a=11.174(2)Å; b=12.859(2)Å; c=12.486(2)Å; β=112.00(1)°, is presented. The results derive from a su... Read More about Charge-density study of the nonlinear optical precursor DED-TCNQ at 20 K.

Electron acceptors of the fluorene series. Part 12. 9- (Metalloceneylidene)nitrofluorene derivatives of Fc-NF, NF-Fc- NF, and NF-Rc-NF types, and the vinylogues Fc-pi-NF: synthesis, characterisation, intramolecular charge transfer, redox properties and X- (2001)
Journal Article
Perepichka, D., Perepichka, I., Popov, A., Bryce, M., Batsanov, A., Chesney, A., …Sokolov, N. (2001). Electron acceptors of the fluorene series. Part 12. 9- (Metalloceneylidene)nitrofluorene derivatives of Fc-NF, NF-Fc- NF, and NF-Rc-NF types, and the vinylogues Fc-pi-NF: synthesis, characterisation, intramolecular charge transfer, redox properties and X-. Journal of Organometallic Chemistry, 637, 445-462

Reaction of ferrocenecarboxaldehyde 13 and its vinylogue, (E,E)-1-ferrocenyl-4-formyl-1,3-butadiene (16), with nitrofluorenes as CH-acids, results in push-pull compounds of the type Fc-pi -fluorene (8a-g, 12a-e). Similar reaction with bifunctional fe... Read More about Electron acceptors of the fluorene series. Part 12. 9- (Metalloceneylidene)nitrofluorene derivatives of Fc-NF, NF-Fc- NF, and NF-Rc-NF types, and the vinylogues Fc-pi-NF: synthesis, characterisation, intramolecular charge transfer, redox properties and X-.

Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts (2001)
Journal Article
Batsanov, A., Bryce, M., Chesney, A., Howard, J., John, D., Moore, A., …Cuello, A. (2001). Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts. Journal of materials chemistry, 11(9), 2181-2191

Efficient syntheses are reported for tetraiodotetrathiafulvalene 2, 4-iodo-5-methyl-4',5'- bis(methylsulfanyl)TTF 3, and 4-iodo-4',5'- bis(methylsulfanyl)TTF 4 by iodination, using perfluorohexyl iodide, of lithiated derivatives of the corresponding... Read More about Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts.

Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons (2001)
Journal Article
Collings, J., Roscoe, K., Thomas, R., Batsanov, A., Stimson, L., Howard, J., & Marder, T. (2001). Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons. New Journal of Chemistry, 25(11), 1410-1417. https://doi.org/10.1039/b105502j

Molecular complexes of 1:1 stoichiometry of octafluoronaphthalene (OFN) with the polyaromatic hydrocarbons anthracene, phenanthrene, pyrene and triphenylene have been prepared, and their single-crystal X-ray structures determined at 120 K. All of the... Read More about Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons.