Modeling of the effect of surface electronic polarization on relative bond strengths in the alkyl sulfides

Abstract

1. Quantum-chemical calculations show that selective weakening of the bond between the carbon and sulfur atoms in the alkyl sulfides can be achieved through electron-acceptor action. 2. The possibility of a two-step mechanism of catalytic cracking of the alkyl sulfides has been demonstrated. This involves formation of a chemisorbed complex with stabilization of the vacant orbital and subsequent capture of a thermal electron from the catalyst by the complex.