https://www.selleckchem.com/pr....oducts/rhapontigenin
Herein, density functional theory (DFT) calculations were employed to explore the reaction mechanism of three cascade cycles for the hydrogenation of carbon dioxide to methanol (CO2 + 3H2 → CH3OH + H2O) catalyzed by a manganese pincer complex [Mn(Ph2PCH2SiMe2)2N(CO)2]. The three cascade cycles involve the hydrogenation of CO2 to formic acid, the hydrogenation of formic acid to methanediol and the decomposition of methanediol to formaldehyde and water, and the hydrogenation of formaldehyde to methanol. The calculated results demons
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