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. 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.