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Effects of substituents on the stability of phosphoranyl radicals

Date

Authors

Hodgson, Jennifer

Coote, Michelle

Publisher

American Chemical Society

Abstract

The effect of substituents on the geometries, apicophilicities, radical stabilization energies, and bond dissociation energies of •P(CH 3)3X (X = CH3, SCH3, OCH 3, OH, CN, CF3, Ph) were studied via high-level ab initio molecular orbital calculations. Tw

Keywords

Keywords: Chemical bonds; Dissociation; Free radicals; Molecular structure; Reaction kinetics; Stabilization; Bond dissociation energy; Phosphoranyl radicals; Radical stabilization energy; Phosphorus compounds; free radical; organophosphorus compound; article; chem

URI

http://hdl.handle.net/1885/81336

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

DOI

10.1021/jp053535t

Restricted until

2037-12-31

Downloads

File

Description

01_Hodgson_Effects_of_substituents_on_the_2005.pdf (157.93 KB)