The Paton Research Group

Computational Organic Chemistry

Research in the Paton group is focused on the development and application of computational tools to accelerate chemical discovery. Quantum chemistry, open source software and statistical modeling tools are used to explore organic reactivity and selectivity aided by extensive collaborations with experimentalists.

Research

Data-Driven Chemistry

Catalyst Discovery and Design

Reaction Mechanism and Selectivity

Lab Photos

Recent Publications

An energy transfer mediated 4π spirocyclization intercepts the Staudinger beta-lactam synthesis.

Popescu, M. V.; Parker, N. A.; Jia, Z.; Solon, P.; Alegre-Requena, J. V.; Paton, R. S.; Smith, M. D. Chem Catal. 2025, accepted

Impact of oxygen and sulfur heteroatom core substitution on properties and performance of phenoxazine photocatalysts.

Lathrop, J. L.; Portela, B. S.; Paton, R. S.; Miyake, G. M. Chem. Eur. J. 2025, e202501179

Enantioconvergent Chan–Lam Coupling: Synthesis of Chiral Benzylic Amides via Cu-Catalyzed Deborylative Amidation.

Vu, J.; Haug, G.; Head, J.; Paton, R. S.; Dong, Y. J. Am. Chem. Soc. 2025, accepted

Efficient super-reducing organic photoredox catalysis with PCET- mitigated back electron transfer.

Bains, A. K.; Sau, A.; Portela, B.; Kajal, Green, A. R. Wolff, A. M.; Patin, L. F.; Paton, R. S.; Damrauer, N. H.; Miyake, G. M. Science 2025, 388, 1294–1300

Ethyl Pinacol Boronates as Advantageous Precursors for Copper-Mediated Radiofluorination.

Hadjipaschalis, N.; Ortalli, S.; Chen, Z.; Paton, R. S.; Ford, J.; Tredwell, M.; Gouverneur, V. Org. Lett. 2025, 27, 6545–6550

Synthesis and properties of allylic, benzylic, propargylic and allenylic oxonium ions.

Chan, H. S. S.; Li, Y.; Sutro, J. L.; Brown, D. S.; Paton, R. S.; Burton, J. W. Nat. Synth. 2025, accepted