Dependence of the directions of catalytic demethylation of 2-Methylhexane on its electronic structure

Abstract

1. The hydrogen pressure changes the direction of the demethylation of 2-methylhexane over 20% Pt-C at 375dg, promoting the elimination of methyl groups bonded to tertiary atoms. 2. The electronic structure of 2-methylhexane was studied, and it was shown that the carbon atoms of the methyl groups carry maximum negative charges, while the minimum electron density is concentrated on the tertiary atom.