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Effects of Substituents on the Stabilities of Phosphonyl Radicals and their Hydroxyphosphinyl Tautomers

Krenske, Elizabeth; Coote, Michelle


High-level ab initio quantum chemical methods have been used to calculate the radical stabilization energies (RSEs) of phosphonyl radicals XYP(=O)· bearing a range of substituents X and Y. The main influences on these radicals' stabilities are σ-effects

CollectionsANU Research Publications
Date published: 2007
Type: Journal article
Source: Journal of Physical Chemistry A
DOI: 10.1021/jp072358o


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