Reaction Mechanism and Selectivity
We elucidate reaction mechanisms to understand how selectivity arises in complex chemical transformations. Our research spans enzymatic catalysis, organometallic reactions, biosynthetic pathways, and photochemistry. Using quantum chemical modeling, QM/MM methods, and molecular dynamics, we map reaction coordinates, identify reactive intermediates, and rationalize selectivity patterns. Our aims include explaining unusual reactivity, predicting reaction outcomes, and revealing the role of non-covalent interactions in controlling selectivity. These mechanistic insights guide synthetic strategy and expand fundamental chemical understanding.
Collaborators
Varinder Aggarwal, Jeff Bandar, Niels Damrauer, Andy McNally,
Richmond Sarpong
Recent Papers
Overturning Redox Potential Control in Single-Electron Transfer: Selectivity Emerges from Indiscriminate Photoreduction.Edgecomb, J. M.; Sau, A.; Manoj, N.; Resmini, M. D.; Meyer, A. F.; Paton, R. S.; Damrauer, N. H.; Wickens, Z. K. submitted 2025
Potassium Metabisulfite’s Role in Developing a Robust Platform for Enantioenriched N-Alkylpyridinium Salts as Piperidine Precursors.Selingo, J. D.; King, J. R.; Pio, B.; Neel, A. J.; Lam, Y.-h.; Paton, R. S.; Maddess, M. L.; McNally, A. in revision 2025
Electrophilic Amination–Induced 1,2-Boronate Migration for the Modular Synthesis of β-Amino Boronic Esters.Shen, H.-C.; Sandvoss, A.; Hughes, W. B.; Tyler, J. L.; McCormick McPherson, L. J.; Paton, R. S.; Aggarwal, V. K. submitted 2025
The generation of five-membered hetarynes balanced on the edge of accessibility.Hindson, M. J.; Popescu, M. V.; Alisauskas, E.; Fresia, M.; Holmes, S.; Petropavloskikh, D.; Paton, R. S.; Burton, J. W.; Smith, M. D. submitted 2025
Direct Aziridine Synthesis from Amines and Styrenes via a Base-Promoted Oxidative Cascade Reaction.Vásquez Tapia Vera, C.; Hughes, W. B.; Klaus, D. R.; Paton, R. S.; Bandar, J. S. J. Am. Chem. Soc. 2025, accepted
Operando Analysis of Nickel Catalyst Speciation in Reductive Biaryl Synthesis Using Thin Layer Electrochemistry and a Microelectrode.Punchihewa, B. T.; Romero-Arenas, A.; Paton, R. S.; Weix, D. J.; Stahl, S. S.; Rafiee, M. J. Am. Chem. Soc. 2025, 147, 44667–44672
Direct C–H Lactonization of Carboxylic Acids Enabled by LMCT Photoactivation.Weber, K. M.; Villanueva, R.; Popescu, M. V.; Lutovsky, G. A.; Gockel, S. N.; Paton, R. S.; Yoon, T. P. Angew. Chem. Int. Ed. 2025, e15582
Reduction and Deuteration of N-Heteroarenes Using an Organic Photoredox Catalyst.Bains, A. K.; Sau, A.; Portela, B. S.; Paton, R. S.; Miyake, G. M.; Damrauer, N. H. Chem 2025, DOI: 10.1016/j.chempr.2025.102822
