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A comparison of orbital intractions in the additions of phosphonyl and acyl radicals to double bonds

Krenske, Elizabeth; Schiesser, Carl

Description

Calculation of the barriers for addition of the H2P(=O)̇ and HC(=O)̇ radicals to alkenes, at the CCSD(T)/aug-cc-pVDZ//BHandHLYP/6- 311G** level, indicates that both radicals display ambiphilic behaviour. For the HC(=O)̇ radical this behaviour occurs be

CollectionsANU Research Publications
Date published: 2008
Type: Journal article
URI: http://hdl.handle.net/1885/52893
Source: Organic and Biomolecular Chemistry
DOI: 10.1039/b714597g

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