木文将烯烃歧化反应看成是在中心金属原子上进行的金属卡宾-烯烃与金属环丁烷的一系列相互转换过程(σ—π转换),利用自编CNDO计算程序,对七种反应过程模型进行了计算,认为:氧、Lewis酸在歧化反应中要同时存在,才能在提高反应活性过程中有协同促进作用;羰基对中心原子的配位,对反应有利;中心金属原子的更替,即中心金属原子d轨道的大小,对反应活性的影响很大。 Woody regards olefin disproportionation reactions as a series of interconversion processes (σ-π conversion) of metal carbenes and cyclobutanes on central metal atoms. By using self-programmed CNDO calculation program, the reactions of seven reaction processes The calculation of the model indicates that oxygen and Lewis acids should coexist in the disproportionation reaction before they can improve the reaction activity. The coordination of the carbonyl group to the central atom is favorable to the reaction. The replacement of the central metal atom, ie, The center of the metal atom d orbit size, a great impact on the reactivity.