Theoretical kinetic study of the reaction of SF5 radical with F2, Cl2 and SF5

Cristian Buendía-Atencio,Gilles P. Pieffet,A. E. Croce,Carlos J. Cobos

Computational and Theoretical Chemistry（2016）

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摘要

•Kinetic analysis of reactions of SF5 radical with F2 and Cl2 molecules.•Quantum-chemical calculations of potential energy surfaces of SF5 radical reactions.•Theoretical estimation of rate coefficients for the reaction SF5+SF5→S2F10.

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关键词

SF5 radical,Rate coefficients,Quantum-chemical calculations,Transition state theory calculations,Statistical adiabatic channel model/classical trajectory calculations

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