Elimination of molecular hydrogen and methane from collision-activated alkoxide negative ions in the gas phase. An ab initio and isotope effect study

RN Hayes, JC Sheldon, JH Bowie, DE Lewis

Index: Hayes, Roger N.; Sheldon, John C.; Bowie, John H.; Lewis, David E. Australian Journal of Chemistry, 1985 , vol. 38, # 8 p. 1197 - 1208

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Citation Number: 31

Abstract

Abstract Ab initio calculations indicate that the collisional induced losses of molecular hydrogen from the ethoxide negative ion and methane from the t-butoxide negative ion to be stepwise processes in which the key intermediates are [H-… MeCHO] and [Me-… Me 2 CO] respectively. Deuterium kinetic isotope effects observed for these and other alkoxide negative ions are in accord with the operation of a stepwise reaction.