Department of Chemsitry

Professor Rob Paton

Associate Professor of Organic Chemistry

Tutorial Fellow, St Hilda's College

Telephone: 44 (0) 1865 275465

Research Group Web Pages

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The Paton Group: Computational Organic Chemistry

The group's research interests focus on solving problems in organic and bio-organic chemistry using computational methods. Predictions and designs of new reactions, reagents, and catalysts are tested through our close collaborations with experimentalists. Please visit our Research Group Website for further information.

Selected Publications

The Intramolecular Diels-Alder Reactions of Cycloalkenones: Stereoselectivity, Lewis Acid Acceleration, and Halogen Substituent Effects Pham, H. V.; Paton*, R. S.; Ross, A. G.; Danishefsky, S. J.; Houk, K. N. J. Am. Chem. Soc. 2014, 136, 2397–2403.

Natural product biosynthesis: It's all downhill from here Hornsby, C. E.; Paton*, R. S. Nature Chem. 2014, 6, 88–89.

Quantum mechanical calculations suggest that lytic polysaccharide monooxygenases employ a copper-oxyl, oxygen-rebound mechanism Kim, S.; Sandgren, M.; Ståhlberg, J.; Paton*, R. S.; Beckham., G. T. Proc. Nat. Acad. Sci. 2014, 111, 149-154.

Ligand Bite Angle-dependent Palladium-catalyzed Cyclization of Propargylic Carbonates to 2-Alkynyl Azacycles or Cyclic Dienamides Daniels, D. S. B.; Jones, A. S.; Thompson, A. L.; Paton*, R. S.; Anderson, E. A. Angew. Chem. Int. Ed. 2013, early view.

Asymmetric Total Synthesis of (+)-Bermudenynol, a C15 Laurencia Metabolite with a Vinyl Chloride-Containing Oxocene Skeleton, via Intramolecular Amide Enolate Alkylation Kim, G.; Sohn, T.-I.; Kim, D.; Paton, R. S. Angew. Chem. Int. Ed. 2013, 53, 272-276.

Diels-Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis Liu, F.; Paton, R. S.; Kim, S.; Liang, Y.; Houk, K. N. J. Am. Chem. Soc. 2013, 135, 15642-15649.

Concise Substrate-Controlled Asymmetric Total Syntheses of Dioxa- bicyclic Marine Natural Products with 2,10-Dioxabicyclo- [7.3.0]dodecene and 2,9-Dioxabicyclo[6.3.0]undecene Skeletons Kim, M. J.; Sohn, T.-I.; Kim, D.; Paton, R. S. J. Am. Chem. Soc. 2012, 34, 20178-20188.

Dinuclear Palladium Complexes – Precursors or Catalysts? Paton*, R. S.; Brown, J. M. Angew. Chem. Int. Ed. 2012, 51, 10448–10450.

Enzymatic Catalysis of Anti-Baldwin Ring-Closure in Polyether Biosynthesis Hotta, K.; Chen, X.; Paton, R. S.; Minami, A.; Li, H. Swaminathan, K. T.; Mathews, I. I.; Watanabe, K.; Oikawa, H.; Houk, K. N.; Kim, C. Y. Nature 2012, 483, 355-358.

An Efficient Computational Model to Predict the Synthetic Utility of Heterocyclic Arynes Goetz, A. E.; Bronner, S. M. ; Cisneros, J.; Melamed, J.; Paton*, R. S.; Houk, K. N.; Garg, N. K. Angew. Chem. Int. Ed. 2012, 51, 2758-2762.

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