Research on C—C Bond Length Distribution in Hydrocarbon Molecules
Research on C—C Bond Length Distribution in Hydrocarbon Molecules
摘要
The C--C bond dissociation energy(BDE)is a very important data in research of hydrocarbon cracking reactions,because it reflects the difficulty level of chemical reactions.But it is very difficult to obtain the C--C bond dissociation energy(BDE)by experiments,so using quantum chemistry calculation such as density functional theory(DFT)to study the C--C bond dissociation energy is a very useful means.The impact of acceptor substituents and donor substituents on the C--C bond length distribution was studied.
