Theoretical Analysis on the Kinetic Isotope Effects of Bimolecular Nucleophilic Substitution (SN2) Reactions and Their Temperature Dependence

Factors affecting the kinetic isotope effects (KIEs) of the gas-phase SN2 reactions and their temperature dependence have been analyzed using the ion-molecule collision theory and the transition state theory (TST). The quantum-mechanical tunneling effects were also considered using the canonical var...

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Main Authors: Wan-Chen Tsai, Wei-Ping Hu
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI AG 2013-04-01
Colecção:Molecules
Assuntos:
kinetic isotope effect
SN2 reaction
ion-molecule collision theory
transition state theory
variational transition state theory
tunneling effect
Acesso em linha:http://www.mdpi.com/1420-3049/18/4/4816
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