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Competing S N 2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

Brittain, David; Pandey, Rinku; Kumari, Kirti; Sharma, Pooja; Pandey, Gunjan; Lal, Rup; Coote, Michelle; Oakeshott, John Graham; Jackson, Colin

Description

Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between SN2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
URI: http://hdl.handle.net/1885/61035
Source: Chemical Communications
DOI: 10.1039/C0CC02925D

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