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Factors Affecting the Relative and Absolute Rates of β-Scission of Alkoxythiocarbonyl Radicals and Alkoxycarbonyl Radicals

Date

Authors

Coote, Michelle

Easton, Christopher

Zard, Samir

Publisher

American Chemical Society

Abstract

High-level ab initio calculations demonstrate that alkoxythiocarbonyl radicals (ROC.=S) undergo β-scission significantly faster than alkoxycarbonyl radicals (ROC.=O) despite having similar exothermicities. The relatively low reactivity of the ROC.=O radi

Keywords

Keywords: Electrons; Reaction kinetics; Stabilization; Alkoxythiocarbonyl radicals; Alkyl radicals; Electron-accepting groups; Exothermicities; Organic compounds; alkyl group; carbonyl derivative; cyanide; radical; thiocarbonyl derivative; unclassified drug; ab ini

URI

http://hdl.handle.net/1885/84917

Collections

ANU Research Publications

Source

Journal of Organic Chemistry

Type

Journal article

DOI

10.1021/jo0607313

Restricted until

2037-12-31

Downloads

File

Description

01_Coote_Factors_Affecting_the_Relative_2006.pdf (83.24 KB)