Competing S(N)2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes |
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Authors: | Brittain David R B Pandey Rinku Kumari Kirti Sharma Pooja Pandey Gunjan Lal Rup Coote Michelle L Oakeshott John G Jackson Colin J |
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Affiliation: | Research School of Chemistry, Australian National University, Canberra ACT 0200, Australia. |
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Abstract: | Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between S(N)2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers. |
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