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Sonogashira Coupling on an Extended Gold Surface in Vacuo: Reaction of Phenylacetylene with Iodobenzene on Au(111) (2010)
Journal Article
Kanuru, V. K., Kyriakou, G., Beaumont, S. K., Papageorgiou, A. C., Watson, D. J., & Lambert, R. M. (2010). Sonogashira Coupling on an Extended Gold Surface in Vacuo: Reaction of Phenylacetylene with Iodobenzene on Au(111). Journal of the American Chemical Society, 132(23), 8081-8086. https://doi.org/10.1021/ja1011542

Temperature-programmed reaction measurements supported by scanning tunneling microscopy have shown that phenylacetylene and iodobenzene react on smooth Au(111) under vacuum conditions to yield biphenyl and diphenyldiacetylene, the result of homocoupl... Read More about Sonogashira Coupling on an Extended Gold Surface in Vacuo: Reaction of Phenylacetylene with Iodobenzene on Au(111).

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.

Substrate-Modulated Thermal Fluctuations Affect Long-Range Allosteric Signaling in Protein Homodimers: Exemplified in CAP (2010)
Journal Article
Toncrova, H., & McLeish, T. C. (2010). Substrate-Modulated Thermal Fluctuations Affect Long-Range Allosteric Signaling in Protein Homodimers: Exemplified in CAP. Biophysical Journal, 98(10), 2317-2326. https://doi.org/10.1016/j.bpj.2010.01.039

The role of conformational dynamics in allosteric signaling of proteins is increasingly recognized as an important and subtle aspect of this ubiquitous phenomenon. Cooperative binding is commonly observed in proteins with twofold symmetry that bind t... Read More about Substrate-Modulated Thermal Fluctuations Affect Long-Range Allosteric Signaling in Protein Homodimers: Exemplified in CAP.

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.

Hyperfine structure in the microwave spectra of ultracold polar molecules (2010)
Journal Article
Ran, H., Aldegunde, J., & Hutson, J. M. (2010). Hyperfine structure in the microwave spectra of ultracold polar molecules. New Journal of Physics, 12, Article 043015. https://doi.org/10.1088/1367-2630/12/4/043015

We investigate the microwave spectra of ultracold alkali metal dimers in magnetic, electric and combined fields taking into account the hyperfine structure due to nuclear spins. We consider the molecules 41K87Rb and 7Li133Cs, which are the targets of... Read More about Hyperfine structure in the microwave spectra of ultracold polar molecules.

An ultracold high-density sample of rovibronic ground-state molecules in an optical lattice (2010)
Journal Article
Danzl, J. G., Mark, M. J., Haller, E., Gustavsson, M., Hart, R., Aldegunde, J., …Nägerl, H. C. (2010). An ultracold high-density sample of rovibronic ground-state molecules in an optical lattice. Nature Physics, 6(4), 265-270. https://doi.org/10.1038/nphys1533

Control over all internal and external degrees of freedom of molecules at the level of single quantum states will enable a series of fundamental studies in physics and chemistry. In particular, samples of ground-state molecules at ultralow temperatur... Read More about An ultracold high-density sample of rovibronic ground-state molecules in an optical lattice.

Structures and Phase Transitions in (MoO2)2P2O7 (2010)
Journal Article
Lister, S., Soleilhavoup, A., Withers, R., Hodgkinson, P., & Evans, J. (2010). Structures and Phase Transitions in (MoO2)2P2O7. Inorganic Chemistry, 49(5), 2290-2301. https://doi.org/10.1021/ic902166j

We report structural investigations into (MoO2)2P2O7 using a combination of X-ray, neutron and electron diffraction, and solid-state NMR supported by first principles quantum chemical calculations. These reveal a series of phase transitions on coolin... Read More about Structures and Phase Transitions in (MoO2)2P2O7.

Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies (2010)
Journal Article
Ilott, A., Palucha, S., Batsanov, A., Wilson, M., & Hodgkinson, P. (2010). Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies. Journal of the American Chemical Society, 132(14), 5179-5185. https://doi.org/10.1021/ja910526z

X-ray diffraction (XRD), molecular dynamics simulations (MD), and 19F NMR have been used to investigate structure and dynamics in solid octafluoronaphthalene, C10F8. Two distinct processes are observed via measurements of 19F relaxation times as a fu... Read More about Elucidation of Structure and Dynamics in Solid Octafluoronaphthalene from Combined NMR, Diffraction, And Molecular Dynamics Studies.

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.

Chain Deformation in Entangled Polymer Melts at Re-entrant Corners (2010)
Journal Article
Clarke, N., De Luca, E., Buxton, G., Hutchings, L., Gough, T., Grillo, I., …McLeish, T. (2010). Chain Deformation in Entangled Polymer Melts at Re-entrant Corners. Macromolecules, 43(3), 1539-1542. https://doi.org/10.1021/ma902324f

Using SANS to map the deformation of individual polymer chains in the vicinity of re-entrant corners in a contraction−expansion flow, we show that stress singularities at such corners, predicted by formulations of fluid dynamics that lack a molecular... Read More about Chain Deformation in Entangled Polymer Melts at Re-entrant Corners.

Reactions of ultracold alkali-metal dimers (2010)
Journal Article
Zuchowski, P. S., & Hutson, J. M. (2010). Reactions of ultracold alkali-metal dimers. Physical Review A, 81(6), Article 060703. https://doi.org/10.1103/physreva.81.060703

We investigate the energetics of reactions involving pairs of alkali-metal dimers. Atom exchange reactions to form homonuclear dimers are energetically allowed for some but not all of the heteronuclear dimers. We carry out high-level electronic struc... Read More about Reactions of ultracold alkali-metal dimers.

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.

Fluctuation power spectra reveal dynamical heterogeneity of peptides (2010)
Journal Article
Khatri, B., Yew, Z. T., Krivov, S., McLeish, T., & Paci, E. (2010). Fluctuation power spectra reveal dynamical heterogeneity of peptides. The Journal of Chemical Physics, 133(1), Article 015101. https://doi.org/10.1063/1.3456552

Characterizing the conformational properties and dynamics of biopolymers and their relation to biological activity and function is an ongoing challenge. Single molecule techniques have provided a rich experimental window on these properties, yet they... Read More about Fluctuation power spectra reveal dynamical heterogeneity of peptides.