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

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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Bibliographic Details
Main Authors: Wan-Chen Tsai, Wei-Ping Hu
Format: Article
Language:English
Published: MDPI AG 2013-04-01
Series:Molecules
Subjects:
kinetic isotope effect
SN2 reaction
ion-molecule collision theory
transition state theory
variational transition state theory
tunneling effect
Online Access:http://www.mdpi.com/1420-3049/18/4/4816

Internet

http://www.mdpi.com/1420-3049/18/4/4816

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