S(N)2 versus E2 Competition of F- and PH2- Revisited

Vermeeren, P; Hansen, T; Grasser, M; Silva, DR; Hamlin, TA; Bickelhaupt, FM

Hamlin, TA; Bickelhaupt, FM (corresponding author), Vrije Univ Amsterdam, Amsterdam Ctr Multiscale Modeling ACMM, Amsterdam Inst Mol & Life Sci AIMMS, Dept Theoret Chem, NL-1081 HV Amsterdam, Netherlands.; Bickelhaupt, FM (corresponding author), Radboud Univ Nijmegen, Inst Mol & Mat IMM, NL-6525 AJ Nijmegen, Netherlands.

JOURNAL OF ORGANIC CHEMISTRY, 2020; 85 (21): 14087

Abstract

We have quantum chemically analyzed the competition between the bimolecular nucleophilic substitution (S(N)2) and base-induced elimination (E2) pathwa......

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