Ab initio study of the mechanism of the formation of a bisheterocyclic compound containing Si and Ge by reaction of germylene silylene (H2Ge=Si:) and ethene

Abstract

The mechanism of the cycloaddition reaction between singlet state germylene silylene (H2Ge=Si:) and ethene was investigated by the CCSD(T)//MP2/6-31G

Keywords

• germylene silylene
• reaction mechanism
• potential energy profile