PdCOM^＋（M=Li,Na,K）体系中M^＋的助催化性能的成键能研究

A THEORITICAL STUDY OF PdCOM￣+ COMPLEXES AS A SIMPLE MODEL OF A PROMOTED CATALYST WITH THE BONDING ENERGY CRITERION

本文采用成键能判据探讨了模型化合物ＰｄＣＯＭ＾＋分子轨道成键性质和原子间化学键强度，进而说明Ｍ＾＋的助催化性能，得到与文献［２］和实验［３］相符的结论。

With bonding energy criterion and EHMO method,a theoritical study of promoted catalyst M+(M =Li,Na, K) in PdCOM+ complexes has been carried out.The bonding energyEb(i) of MO and Eb(AB) between atoms have been obtained From Eb(i) and Eb (AB),the effectof promoted catalyst M+(M = Li,Na.K) in PdCOM+ complexes has been explained and thecatalytic activity order of Li+,Na+,K+ in PdCOM+ has been predicted.