Competing S_n2 and E2 reaction pathways for hexachlorocyclohexane degradation in the gas phase, solution and enzymes

摘要

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.