摘要
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.
出处
《无机化学学报》
SCIE
CAS
CSCD
北大核心
1994年第3期284-288,共5页
Chinese Journal of Inorganic Chemistry
基金
国家自然科学基金