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.