Ru catalyzed hydrogenation of CO2 to formate under basic and acidic conditions

A theoretical study on the hydrogenation of CO2to methanol catalyzed by ruthenium pincer complexes

“…Therefore, the stability of complex D1 plays a decisive role in the dihydrogen activation. In 2021, Saouma et al 52 also reported that only formate product was observed in the experiment of CO 2 hydrogenation to MeOH catalyzed by Ru complexes. This study points out that HCOOH and MeOH could be achieved from the viewpoint of the theoretical results above, due to the relatively low energy barriers for the formation of HCOOH and for the formation of HCHO and MeOH discussed in the following sections.…”