This project concerns design and exploration of new gold(III) catalysts for reactions of unsaturated organic molecules. Catalyst development will be based on deep mechanistic insight obtained from a symbiotic interplay between experimental and computational approaches.
The proposal is based on past and exciting, very recent results obtained in ongoing projects in Oslo and Toulouse (collaborating group). Mechanistic understanding of stoichiometric and catalytic reactions of small alkenes, alkynes, and other organic molecules have obtained, and serves as the fundament for the rational development of new catalytic reactions. Recently, The Tilset/Oslo and Bourissou/Toulouse group simultaneously discovered the first examples of well-characterized Au(III) pi-allyl complexes. The Oslo and Toulouse systems are chemically very different due to differences in ancillary ligands. Through the planned Aurora collaboration, we will develop this chemistry further, drawing upon each other's complementary expertises.
New Au(III) species will be synthesized explored for catalytically relevant reactions. New molecules will be designed on the basis of experimental findings and computational modeling. Computational tools will be used to help establish deeper insight into structure and bonding of these fascinating molecules, to establish reaction mechanism, and thereby facilitate development of new catalytic processes.