Hydrogenation of CO2to methanol catalyzed by a manganese pincer complex: insights into the mechanism and solvent effect

The DFT calculations indicated that the manganese complex [Mn(Ph₂PCH₂SiMe₂)₂N(CO)₂] could catalyze the hydrogenation of carbon dioxide to methanol in solvents, and the minimum energy span of the reaction in THF was 20.4 kcal mol⁻¹.