Discovery Early Career Researcher Award - Grant ID: DE210100053
Funder
Australian Research Council
Funding Amount
$428,710.00
Summary
Computational Discovery & Design of New Catalytic Halogenophilic Reactions. Computational chemistry will be used to discover and predict new halogenophilic (halogeno = halogen; philic = like) substitution reactions (SN2X) catalysed by positively charged (cationic) catalysts. SN2X is a less known substitution reaction compared to accepted textbook nucleophilic (nucleo = electron-rich) substitution reactions. This proposal capitalises on previous theoretical-experimental understanding of a cation- ....Computational Discovery & Design of New Catalytic Halogenophilic Reactions. Computational chemistry will be used to discover and predict new halogenophilic (halogeno = halogen; philic = like) substitution reactions (SN2X) catalysed by positively charged (cationic) catalysts. SN2X is a less known substitution reaction compared to accepted textbook nucleophilic (nucleo = electron-rich) substitution reactions. This proposal capitalises on previous theoretical-experimental understanding of a cation-catalysed SN2X to develop new chemical reactions using SN2X synthetic strategies to access difficult-to-make molecules of potential medicinal relevance with heavily substituted carbon-carbon and carbon heteroatom bonds. Read moreRead less