Deoxydehydration (DODH) is an efficient process for the removal of vicinal OH groups of a diol or polyol. Conventional DODH reactions usually take place at a single-site MO_x (M = Re, Mo, V, etc.) active center, which proceed through a diol condensation step, an alkene extrusion step, and a catalyst regeneration (or reduction) step. Here, we suggest that MoS₂-supported transition-metal atoms allow for the DODH reaction to occur through an alternative mechanism, whereby the C–H bond of a diol is activated first, which facilitates the C–OH bond cleavage on a neighboring carbon. The removal of the second OH group is also facile over the proposed catalysts. Our kinetic studies suggest that the DODH of ethylene glycol on Ru₂/MoS₂, Ir₂/MoS₂, and Ru₃/MoS₂ is highly active with predicted turnover frequencies of over 1/s. Thus, our study suggests a possible approach for the design of highly active DODH catalysts. Apart from being a DODH catalyst, the proposed MoS₂-supported catalysts are also highly active as the hydrodeoxygenation catalyst for the removal of alcohol OH groups.

中文翻译：

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通过C–H激活机制对MoS ₂支撑的过渡金属原子进行高效脱氧和加氢脱氧

脱氧脱水（DODH）是去除二醇或多元醇的邻位OH基团的有效方法。常规的DODH反应通常在单中心MO _x（M = Re，Mo，V等）活性中心进行，该过程通过二醇缩合步骤，烯烃挤出步骤和催化剂再生（或还原）步骤进行。在这里，我们建议MoS ₂支撑的过渡金属原子允许DODH反应通过另一种机制发生，从而首先激活二醇的C–H键，这有助于在相邻碳上裂解C–OH键。 。在所提出的催化剂上第二OH基的去除也很容易。我们的动力学研究表明，乙二醇在Ru ₂ / MoS ₂，Ir上的DODH₂ / MoS ₂和Ru ₃ / MoS ₂具有很高的活性，预计周转频率超过1 / s。因此，我们的研究提出了一种设计高活性DODH催化剂的可行方法。除了作为DODH催化剂之外，所提出的MoS ₂负载的催化剂还具有高活性作为用于除去醇OH基的加氢脱氧催化剂。