Quantum Topological Analysis of Two P-ylide Reactions
- Received Date: 2000-05-29
- P-ylide, P-ylide-like radical, Structure transition states, Energy transitio States /
Abstract: The reaction paths for P-ylide and P-ylide-like radical were discussed. The invetigation of the topological properties of the chemical bonds was emphasized on. The following conclusions are given: After the energy transition states (ETS),Δtype transition structures appe in both of the two reactions. The mistakes in the previous paper by Brain F. Yates are pointe out and corrected: TheΔtype transition structures are the“structure transition state”(ETS) not the“energy transition state”(STS). For the two exothermic elementary reactions, the struture transition states (STS) both appear after the energy transition states (ETS), which are consistent with the conclusions we have given before. According to the topological properties, thchanging trends of the P2-H3bonds and C1-H3bonds are consistent in both the P-ylide and th P-ylide-like radical reactions.
|Citation:||Zeng Yanli, Zheng Shijun, Meng Lingpeng. Quantum Topological Analysis of Two P-ylide Reactions[J]. Chinese Journal of Chemical Physics , 2001, 14(1): 57-64. doi: 10.1088/1674-0068/14/1/57-64|