个人简介

Rob obtained his BSc(Hons) from the University of Tasmania in 1979 and went on to complete a Diploma of Education in 1980. From 1981 to 1983 he was employed by the Tasmanian Education Department as a Maths/Science teacher in the Secondary-School/College system. Following this, he went back to the University of Tasmania to undertake postgraduate studies and obtained a PhD in Chemistry in 1987. From 1987 to 1989 he undertook postdoctoral studies at the Research School of Chemistry (ANU) in the Inorganic Spectroscopy group of Professor Elmars Krausz. In the latter half of 1989, he was appointed as a lecturer in the Department of Chemistry at the University of Queensland and in 1995 moved to a similar position in the Department of Chemistry at ANU. In 1996 he was promoted to Senior Lecturer, in 2000 to Reader, and in 2003 to Professor. He is a Chief Investigator in the Australia-China Joint Research Centre for Functional Molecular Materials and a Fellow of the Royal Australian Chemical Institute.

研究领域

Computational quantum chemistry

We use quantum chemical methods, primarily Density Functional Theory (DFT), to explore the molecular structure, bonding and reactivity of chemical systems, particularly those involving transition metal ions. Transition metal complexes exhibit an enormous variety of structures including classic inorganic coordination compounds, polynuclear transition metal clusters, organometallic complexes and the metal sites in metalloproteins.

近期论文

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Cavigliasso, G, Criddle, A, Kim, H et al 2014, 'On the selective cleavage of nitrous oxide by metal-amide complexes', Dalton Transactions, vol. 43, no. 12, pp. 4631-4634. Terrett, R, Petrie, S, Pace, R et al 2014, 'What does the Sr-substituted 2.1 ?… resolution crystal structure of photosystem II reveal about the water oxidation mechanism?', Chemical Communications, vol. 50, no. 24, pp. 3187-3190. Shaw, M, Ghohe, N, Ariafard, A et al 2014, 'NO2 bond cleavage by MoL3 complexes', Dalton Transactions, vol. 43, no. 4, pp. 1620-1629. Jin, L, Smith, P, Noble, C et al 2014, 'Electronic structure of the oxygen evolving complex in photosystem II, as revealed by 55Mn Davies ENDOR studies at 2.5 K', Physical Chemistry Chemical Physics, vol. 16, no. 17, pp. 7799-7812. Chuah, W, Stranger, R, Pace, R et al 2014, 'Ab initio modeling of the effect of oxidation coupled with HnO deprotonation on carboxylate ligands in Mn/Ca clusters', Journal of Physical Chemistry B, vol. 118, no. 13, pp. 3553-3558. Kulasekera, E, Petrie, S, Stranger, R et al 2014, 'DFT calculation of static first hyperpolarizabilities and linear optical properties of metal alkynyl complexes', Organometallics, vol. 33, no. 10, pp. 2434-2447. Daumann, L, Comba, P, Larrabee, J et al 2013, 'Synthesis, magnetic properties, and phosphoesterase activity of dinuclear cobalt(II) complexes', Inorganic Chemistry, vol. 52, no. 4, pp. 2029-2043. Schliep, M, Cavigliasso, G, Quinnell, R et al 2013, 'Formyl group modification of chlorophyll a: A major evolutionary mechanism in oxygenic photosynthesis', Plant Cell and Environment, vol. 36, no. 3, pp. 521-527. Randles, M, Gupta, V, Simpson, P et al 2013, 'Mixed-metal cluster chemistry: 32. Synthesis, structure, and reactivity of a trimetallic molybdenum-iridium carbonyl cluster possessing a ??3-?·2-benzyne ligand', Polyhedron, vol. 52, pp. 957-962. Young, R, Hill, A, Cavigliasso, G et al 2013, '[(??-C){Re(CO)2(?·-C5H5)}2]: A surprisingly simple bimetallic carbido complex', Angewandte Chemie International Edition, vol. 52, no. 13, pp. 3699-3702. Babgi, B, Al-Hindawi, A, Moxey, G et al 2013, 'Organometallic complexes for nonlinear optics. 52. Syntheses, structural, spectroscopic, quadratic nonlinear optical, and theoretical studies of Ru(C2C6H4R-4)(?o2-dppf)(?·5-C5H5)', Journal of Organometallic Chemistry, vol. 730, pp. 108-115. Cavigliasso, G, Stranger, R, Lo, W et al 2013, 'The nature of species derived from [Pt(bipy)2]2+ in aqueous solution: X-ray structural, mass spectral, NMR, and computational studies', Polyhedron, vol. 64, pp. 238-246. Randles, M, Simpson, P, Gupta, V et al 2013, 'Syntheses of pentanuclear group 6 iridium clusters by core expansion of tetranuclear clusters with Ir(CO)2(?·5-C5Me4R) (R = H, Me)', Inorganic Chemistry, vol. 52, no. 19, pp. 11256-11268. Kulasekera, E, Petrie, S, Stranger, R et al 2013, 'DFT/TD-DFT analysis of structural, electrochemical and optical data from mononuclear osmium and heterobinuclear osmium-ruthenium alkynyl complexes', Journal of Organometallic Chemistry, vol. 748, no. -, pp. 21-28. Grelaud, G, Cifuentes, M, Schwich, T et al 2012, 'Multistate redox-active metalated triarylamines', European Journal of Inorganic Chemistry, no. 1, pp. 65-75. Gatt, P, Petrie, S, Stranger, R et al 2012, 'Rationalizing the 1.9 ?? crystal structure of photosystem II - a remarkable Jahn-Teller balancing act induced by a single proton transfer', Angewandte Chemie International Edition, vol. 51, no. 48, pp. 12025-12028. West, P, Cifuentes, M, Schwich, T et al 2012, 'Syntheses and spectroscopic, structural, electrochemical, spectroelectrochemical, and theoretical studies of osmium(II) mono- and bis-alkynyl complexes', Inorganic Chemistry, vol. 51, no. 20, pp. 10495-10502. Smith, S, Peralta, R, Jovito, R et al 2012, 'Spectroscopic and Catalytic Characterization of a Functional FeIIIFeII Biomimetic for the Active Site of Uteroferrin and Protein Cleavage', Inorganic Chemistry, vol. 51, no. 4, pp. 2065-2078. Petrie, S, Gatt, P, Stranger, R et al 2012, 'The interaction of His337 with the Mn4Ca cluster of photosystem II', Physical Chemistry Chemical Physics, vol. 14, no. 13, pp. 4651-4657. Pace, R & Stranger, R 2012, 'The biomimetic inspiration for renewable hydrogen fuel production from water oxidation within artificial photosynthesis', Australian Journal of Chemistry, vol. 65, no. 6, pp. 597-607.