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Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction † (2025)
Journal Article
Agati, M., Romi, S., Fanetti, S., Radacki, K., Hanfland, M., Braunschweig, H., Marder, T. B., Clark, S. J., Friedrich, A., & Bini, R. (online). Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction †. Chemical Science, https://doi.org/10.1039/d5sc00432b

This study addresses azobenzene's structural compression and reactivity under hydrostatic high-pressure conditions. Synchrotron X-ray diffraction data of single crystals compressed with neon as the pressure-transmitting medium allowed the refinement... Read More about Insights into topochemical versus stress-induced high-pressure reactivity of azobenzene by single crystal X-ray diffraction †.

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.

Arene-perfluoroarene interactions in crystal engineering. XV. Ferrocene-decafluorobiphenyl (1/1) (2006)
Journal Article
Batsanov, A., Collings, J., & Marder, T. (2006). Arene-perfluoroarene interactions in crystal engineering. XV. Ferrocene-decafluorobiphenyl (1/1). Acta crystallographica. Section C, Crystal structure communications, 62(6), M229-M231. https://doi.org/10.1107/s0108270106014090

The title crystal, [Fe(C5H5)2]·C12F10, comprises infinite chains of alternating component mol­ecules, linked through face-to-face contacts of nearly parallel cyclo­penta­dienyl and penta­fluoro­phenyl rings. The deca­fluoro­biphenyl mol­ecule has a c... Read More about Arene-perfluoroarene interactions in crystal engineering. XV. Ferrocene-decafluorobiphenyl (1/1).

Fac-Dichlorotris(trimethylphosphine)(trimethylphosphoniomethyl) rhodium(III) chloride/bromide dichloromethane benzene solvate. (2006)
Journal Article
Batsanov, A., Marder, T., & Seeler, F. (2006). Fac-Dichlorotris(trimethylphosphine)(trimethylphosphoniomethyl) rhodium(III) chloride/bromide dichloromethane benzene solvate. Acta crystallographica. Section E, 62(3), m574-m575. https://doi.org/10.1107/s1600536806005630

The title complex, [RhCl2(C4H11P)(C3H9P)3](Br0.12/Cl0.88)·CH2Cl2·C6H6, has an ionic structure with fac-octa­hedral coordination of RhIII in the cation. The anion is a mixture of Cl and Br in a 7:1 ratio.

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..

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. D., Batsanov, A. S., Howard, J. A. K., Fox, M. A., & Marder, T. B. (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, 2004(6), 702-703. https://doi.org/10.1039/B316250H

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.

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., Marder, T., & 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, 2003(23), 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.

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..

Studies of the S₁ state in a prototypical molecular wire using picosecond time-resolved spectroscopies (2003)
Journal Article
Beeby, A., Findlay, K., Low, P., Marder, T., Matousek, P., Parker, A., Rutter, S., & Towrie, M. (2003). Studies of the S₁ state in a prototypical molecular wire using picosecond time-resolved spectroscopies. Chemical Communications, 2003(19), 2406-2407. https://doi.org/10.1039/b307005k

Picosecond time-resolved resonance Raman spectroscopy, TR3, reveals an intense acetylenic band in the S1 state of the prototypical molecular wire 1,4-bis(phenylethynyl)benzene.