Rate coefficients for intramolecular homolytic substitution of oxyacyl radicals at sulfur

Aitken, Heather; Horvat, Sonia; Coote, Michelle; Lin, Ching-Yeh; Schiesser, Carl

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Rate coefficients for intramolecular homolytic substitution of oxyacyl radicals at sulfur

Date

2013

Authors

Aitken, Heather

Horvat, Sonia

Coote, Michelle

Lin, Ching-Yeh

Schiesser, Carl

Publisher

CSIRO Publishing

Abstract

It is predicted on the basis of ab initio and density functional calculations that intramolecular homolytic substitution of oxyacyl radicals at the sulfur atom in ω-alkylthio-substituted radicals do not involve hypervalent intermediates. With tert-butyl