The cationic molybdenum pentahydride complex [MoH₅(depe)₂]⁺ (depe = 1,2-bis(diethylphosphino)ethane) is shown to undergo two consecutive reactions with carbon dioxide. In the initial, room-temperature process, classical insertion of CO₂ into a metal−hydride bond is observed, resulting in the formation of the expected formate complex, [MoH₂(HCOO)(depe)₂]⁺. Further reactivity is triggered at temperature above 100°C. Complete conversion into two new complexes is indeed observed, resulting from the formal cleavage of a C–O bond of carbon dioxide, [MoH(CO)₂(depe)₂]⁺ and [MoO(HCOO)(depe)₂]⁺. Unprecedented in the absence of ligand assistance, such metal hydride reactivity has been comprehensively studied by a combination of experimental and computational means with the aim of elucidating the underlying mechanism that governs this process.

中文翻译：

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金属氢化物与 CO2 的反应性：超越甲酸盐与高价阳离子五氢化物 Mo（VI） 络合物


阳离子五酞络合物 [MoH₅（depe）₂]⁺ （depe = 1,2-bis（二乙基膦基）乙烷）与二氧化碳发生两次连续反应。在最初的室温过程中，观察到 CO₂ 经典插入金属氢化物键中，导致形成预期的甲酸盐络合物 [MoH₂（HCOO）（depe）₂]⁺。在 100°C 以上的温度下触发进一步的反应性。 确实观察到完全转化为两种新的配合物，这是由于二氧化碳的 C-O 键 [MoH（CO）₂（depe）₂]⁺ 和 [MoO（HCOO）（depe）₂]⁺）的正式裂解而产生的。在没有配体辅助的情况下，这种金属氢化物反应性是前所未有的，它通过实验和计算手段的结合进行了全面研究，目的是阐明控制这一过程的潜在机制。