Nucleophilicity scale for n- and pi-nucleophiles
Abstract
A recently introduced empirical nucleophilicity index for a series of n- and pi-nucleophiles was evaluated. The index is based on the frontier molecular orbital information of the nucleophile and its electrophilic partner. The model is validated against kinetic data of alkenes, phosphanes, phosphites and amines interacting with the corresponding electrophilic partner. The predictive character of this index is tested for some nucleophiles.
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CHEMICAL PHYSICS LETTERS Volume: 427 Issue: 4-6 Pages: 421-425 Published: AUG 31 2006
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