Brian Yates postoc'd at the University of California, Berkely and the University of Georgia before coming to the University of Tasmania in 1989. His research is supported by the Australian Research Council, AINSE, and the Australian Academy of Science.
Research Interests
In my research group, computational chemistry is used in the understanding of organic and organometallic reaction mechanisms, and in the molecular modelling of biologically active compounds. Quantum chemistry (both ab initio and density functional theory) is used to calculate potential energy surfaces, and electronic and magnetic properties of compounds. Studies have included the palladium-catalysed Heck and carbonylation reactions, platinum complexes of alkenes, and hybrid QM/MM techniques. In the other area of our research, molecular modelling has lead to the successful computer-aided design, synthesis and testing of new drug compounds in areas such as Parkinson's disease and melanomas.
Research Areas:Teaching
Organic chemistry, including functional groups, bio-organic chemistry, applied organic chemistry (petroleum, polymers, soaps and detergents, explosives), introduction to biochemistry, reaction mechanisms, organic chemistry for life sciences, reactive intermediates, and Woodward-Hoffmann rules. Computational chemistry, including molecular mechanics, molecular modelling, drug design, quantum chemistry, molecular orbital theory, ab initio and semi-empirical techniques. Laboratory risk assessments
UnitsSelected Publications:- Bermingham, M.J.; Cloke, F.G.N.; Gardiner, M.G.; Hitchcock, P.B.; Wise, L.E.;Yates,B.F., 2005, '"Structural Studies of Group 1 Metal 4-Azapentalenyl Complexes"', Dalton Trans , pgs. 1157-1158
- Christian, G.; Stranger, R.; Yates, B.F.; Graham, D.C., 2005, '"Ligand Rotation in
[Ar(R)N]3M-N2-M'[N(R)Ar]3 (M, M' = MoIII, NbIII; R = iPr and tBu) Dimers"', Dalton Trans, pgs. 962-968
- Graham, D.C.; Berans, J.G.O.; Head-Gordon, M.; Christian, G.; Stranger, R.; Yates, B.F., 2005, '"Nitrogen Activation via 3-Coordinate Molybdenum Complexes - A
Comparison of DFT Performance with Wave Function Based Methods",
', J. Phys. Chem., 109, pgs. 6762-6772
- Graham, D.C.; Cavell, K.J.; Yates, B.F., 2005, '"Dimerization Mechanisms of
Heterocyclic Carbenes"', J. Phys. Org. Chem., 18, pgs. 298-309
- Graham, D.C.; Cavell, K.J.; Yates, B.F., 2005, '"Influence of Geometry on
Reductive Elimination of Hydrocarbyl-Palladium-Carbene Complexes" ', Dalton , pgs. 1093-1100
- Humphrey, M.G.; Lockhart-Gillett, B.; Samoc, M.; Skelton, B.W.; Tolhurst, V.-A.; White, A.H.; Wilson, A.J; Yates, B.F., 2005, '"Synthesis, Structure and
Optical Limiting Properties of Organoruthenium Chalcogenide Clusters"', J. Organomet. Chem, 690, pgs. 1487-1497
- Jones, R.C.; Madden, R.L.; Skelton, B.W; Tolhurst, V.-A.; White, A.H.; Williams, A.M.; Wilson, A.J.; Yates, B.F, 2005, '"Solution, Structural and
Catalytic Activity of Neutral MCl2 (M=Pd, Pt) Complexes of the N/E Mixed
Donor Ligands 2-(RECH2)C5H4N (RE=MeS, PhS, MeSe)"
', European J. Inorg. Chem, pgs. 1048-1055
Current and Supervised Project/s:
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