Issue 3, 1986

Linearity and the unimportance of tunnelling in hydride transfer: ab initio MO studies

Abstract

Ab initio quantum-chemical characterisation of the activated complex for hydride transfer from methylamine to methyleneammonium reveals an essentially linear C ⋯ H ⋯ C linkage and a negligible tunnelling correction to the primary deuterium kinetic isotope effect; this suggests that non-linearity and barrier-tunnelling are not intrinsic features of hydride-transfer processes.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1986, 267-268

Linearity and the unimportance of tunnelling in hydride transfer: ab initio MO studies

B. G. Hutley, A. E. Mountain, I. H. Williams, G. M. Maggiora and R. L. Schowen, J. Chem. Soc., Chem. Commun., 1986, 267 DOI: 10.1039/C39860000267

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