Competing SN2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

David R.B. Brittain; Rinku Pandey; Kirti Kumari; Pooja Sharma; Gunjan Pandey; Rup Lal; Michelle L. Coote; John G. Oakeshott; Colin J. Jackson

doi:10.1039/c0cc02925d

Competing S_N2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

David R.B. Brittain, Rinku Pandey, Kirti Kumari, Pooja Sharma, Gunjan Pandey, Rup Lal, Michelle L. Coote, John G. Oakeshott, Colin J. Jackson

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

Quantum chemistry calculations have been used alongside experimental kinetic analysis to investigate the competition between S_N2 and E2 mechanisms for the dechlorination of hexachlorocyclohexane isomers, revealing that enzyme specificity reflects the intrinsic reactivity of the various isomers.

Original language	English
Pages (from-to)	976-978
Number of pages	3
Journal	Chemical Communications
Volume	47
Issue number	3
DOIs	https://doi.org/10.1039/c0cc02925d
Publication status	Published - 21 Jan 2011
Externally published	Yes

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title = "Competing SN2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes",

abstract = "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.",

author = "Brittain, {David R.B.} and Rinku Pandey and Kirti Kumari and Pooja Sharma and Gunjan Pandey and Rup Lal and Coote, {Michelle L.} and Oakeshott, {John G.} and Jackson, {Colin J.}",

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AU - Brittain, David R.B.

AU - Pandey, Rinku

AU - Kumari, Kirti

AU - Sharma, Pooja

AU - Pandey, Gunjan

AU - Lal, Rup

AU - Coote, Michelle L.

AU - Oakeshott, John G.

AU - Jackson, Colin J.

PY - 2011/1/21

Y1 - 2011/1/21

N2 - 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.

AB - 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.

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M3 - Article

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SN - 1359-7345

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SP - 976

EP - 978

JO - Chemical Communications

JF - Chemical Communications

IS - 3

ER -

Competing S_N2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

Abstract

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