前线轨道理论解释镍的催化机理问题探讨

Discussion on Catalytic Mechanism Analysis of Ni Catalyst through the Frontier Orbital Theory

本文分析了国内结构化学教材中普遍存在的关于前线轨道理论解释乙烯加氢反应中镍的催化机理问题,指出了教材中的不妥当之处,提出了更正的建议。根据氢吸附机理的普遍性,本文认为利用吸附态的H原子解释此现象更符合实际,希望与广大同行探讨。

A problem existing in majority of structural chemistry textbooks were discussed.It′s about the catalytic mechanism analysis of Ni catalyst in the ethene hydrogenation reaction through the frontier orbital theory.The inaccuracies were pointed out and the correct opinions were proposed.According to the universality of hydrogen adsorption mechanism,we think that it is more realistic to explain this phenomenon by using H atom of adsorbed state,and hope to discuss with colleagues.