Issue 11, 1998

Remarkable cleavage of molecular hydrogen without the use of metallic catalysts: a theoretical investigation

Abstract

High level abinitio molecular orbital calculations show that molecular hydrogen can be cleaved by the 1,3-dimethylimidazolidin-2-yl cation in the presence of a base such as NH3 or HCOO- with quite a modest barrier, in a reaction that models the non-metallic hydrogenase from methanogenic archaea.

Article information

Article type
Paper

New J. Chem., 1998,22, 1171-1173

Remarkable cleavage of molecular hydrogen without the use of metallic catalysts: a theoretical investigation

A. P. Scott, B. T. Golding and L. Radom, New J. Chem., 1998, 22, 1171 DOI: 10.1039/A806358C

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