University Chemistry ›› 2026, Vol. 41 ›› Issue (9): 405-411.doi: 10.12461/PKU.DXHX202508059

• Between Teacher and Student • Previous Articles     Next Articles

A frontier orbital symmetry analysis for the formate and formyl pathway of CO2 hydrogenation to methanol catalyzed by transition metal/metal oxide

Wenliang Wang1,2, Weina Wang2, Tian Sheng1, Nan Wei1, Sufan Wang1, Tao Zhou1   

  1. 1 School of Chemistry and Materials Science, Anhui Normal University, Wuhu 241000, Anhui Province, China;
    2 School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an 710119, Shaanxi Province, China
  • Received:2025-08-19 Accepted:2025-10-22 Published:2026-09-01
  • Contact: Wenliang Wang E-mail:wlwang@snnu.edu.cn

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Abstract: Based on the frontier orbital theory, the rationality of the reaction mechanism for both carbonate and formyl paths in the transition metal/metal oxide catalyzed CO2 hydrogenation to methanol was analyzed in detail. It is suggested that in the teaching process of structural chemistry, a simple symmetry analysis of the activation strategies of CO2, CO and H2 and the reaction mechanisms of the key steps in these two paths were conducted. This can not only deepen students' understanding of the frontier orbital theory, but also timely convert the hot research topics into teaching materials, so as to stimulate students' interest in learning structural chemistry.

Key words: Carbon dioxide, Hydrogenation, Catalytic mechanism, Frontier orbital theory, Symmetry