Skip to main content

Research Repository

Advanced Search

Outputs (38)

Calculating excited state properties using Kohn-Sham density functional theory (2013)
Journal Article
Hanson-Heine, M. W., George, M. W., & Besley, N. A. (2013). Calculating excited state properties using Kohn-Sham density functional theory. Journal of Chemical Physics, 138(6), Article 064101. https://doi.org/10.1063/1.4789813

The accuracy of excited states calculated with Kohn-Sham density functional theory using the maximum overlap method has been assessed for the calculation of adiabatic excitation energies, excited state structures, and excited state harmonic and anhar... Read More about Calculating excited state properties using Kohn-Sham density functional theory.

A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides (2013)
Journal Article
Carbone, G., Burnley, J., & Moses, J. E. (2013). A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides. Chemical Communications, 49(27), https://doi.org/10.1039/c3cc40452h

We report here a new catalytic reaction in which, p-nitro azides are acylated by aldehydes to produce amides and molecular nitrogen in a single step. The transformation is believed to proceed via an electron transfer process mediated by the tert-buto... Read More about A catalytic and tert-butoxide ion-mediated amidation of aldehydes with para-nitro azides.

Catalytic Hydrotrifluoromethylation of Unactivated Alkenes (2013)
Journal Article
Mizuta, S., Verhoog, S., Engle, K. M., Khotavivattana, T., O’Duill, M., Wheelhouse, K., …Gouverneur, V. (2013). Catalytic Hydrotrifluoromethylation of Unactivated Alkenes. Journal of the American Chemical Society, 135(7), 2505–2508. https://doi.org/10.1021/ja401022x

A visible-light-mediated hydrotrifluoromethylation of unactivated alkenes that uses the Umemoto reagent as the CF3 source and MeOH as the reductant is disclosed. This effective transformation operates at room temperature in the presence of 5 mol % Ru... Read More about Catalytic Hydrotrifluoromethylation of Unactivated Alkenes.

The lipidome and proteome of oil bodies from Helianthus annuus (common sunflower) (2013)
Journal Article
Furse, S., Liddell, S., Ortori, C. A., Williams, H., Neylon, D. C., Scott, D. J., …Gray, D. A. (2013). The lipidome and proteome of oil bodies from Helianthus annuus (common sunflower). Journal of Chemical Biology, 6(2), 63-76. https://doi.org/10.1007/s12154-012-0090-1

In this paper we report the molecular profiling, lipidome and proteome, of the plant organelle known as an oil body (OB). The OB is remarkable in that it is able to perform its biological role (storage of triglycerides) whilst resisting the physical... Read More about The lipidome and proteome of oil bodies from Helianthus annuus (common sunflower).

On DABAL-Me₃ promoted formation of amides (2013)
Journal Article
Dubois, N., Glynn, D., Mcinally, T., Rhodes, B., Woodward, S., Irvine, D., & Dodds, C. (2013). On DABAL-Me₃ promoted formation of amides. Tetrahedron, 69(46), https://doi.org/10.1016/j.tet.2013.08.062

The range and utility of DABAL-Me3 couplings of methyl esters and free carboxylic acids with primary and secondary amines under a variety of conditions (reflux, sealed tube, microwave) has been compared for a significant range of coupling partners of... Read More about On DABAL-Me₃ promoted formation of amides.

Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation (2013)
Journal Article
Powell, A. S., Stoeva, Z., Lord, J. S., Smith, R. I., Gregory, D. H., & Titman, J. J. (2013). Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation. Physical Chemistry Chemical Physics, 15(3), https://doi.org/10.1039/c2cp43318d

Muon spin relaxation and powder neutron diffraction have been combined to study three lithium cobalt nitride battery materials. Neutron diffraction shows that these retain the P6/mmm space group of Li3N with Co located only on Li(1) sites. The lattic... Read More about Insight into lithium transport in lithium nitridometallate battery materials from muon spin relaxation.

Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer (2013)
Journal Article
Carbone, G., Burnley, J., & Moses, J. E. (2013). Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer. SYNLETT, 24(5), https://doi.org/10.1055/s-0032-1318216

The reduction of a range of substituted azidonitrobenzene derivatives to the corresponding aniline is described. The chemoselective reaction proceeds cleanly and in good yield, generating minimal waste products. The process involves a thiazolium salt... Read More about Catalytic reduction of ortho- and para-azidonitrobenzenes via tert-butoxide ion mediated electron transfer.