A density functional theory study on hydrogenation of carbon dioxide to formate and formamide catalysed by a Mn bipyridinol complex reveals an unexpected metal–ligand cooperation mechanism with concerted two-proton transfer processes for the activation of diethylamine and formic acid, as well as the formation of formamide and water. Both ortho-O atoms in the bipyridinol ligand act as proton relay sites for the simultaneous transfer of two protons for the breaking of N–H and C–O bonds and the formation of a C–N bond.

中文翻译：

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Mn联吡啶醇配合物催化的氨基甲酸双质子转移到氨基甲酰胺的意外协同运动†

锰联吡啶醇配合物催化二氧化碳加氢生成甲酸酯和甲酰胺的密度泛函理论研究揭示了意料之外的金属-配体协同机制以及协同的双质子转移过程，以活化二乙胺和甲酸，并形成了甲酰胺和水。联吡啶配体中的两个邻位-O原子均作为质子传递位点，同时传递两个质子，以破坏NH和C-O键并形成CN键。