Molybdenum sulfide is a potent hydrogen evolution catalyst, and is discussed as a replacement of platinum in large-scale electrochemical hydrogen production. To learn more about the elementary steps of MoS2 production by sputtering in the presence of dimethyl disulfide (DMDS), the reactions of Mox +, x = 1-3, with DMDS are studied by Fourier transform ion cyclotron resonance mass spectrometry and density functional theory calculations. A rich variety of products composed of molybdenum, sulfur, carbon and hydrogen was observed. MoxSy + species are formed in the first reaction step, together with products containing carbon and hydrogen. The calculations indicate that the strong Mo-S bonds are formed preferentially, followed by Mo-C bonds. Hydrogen is exclusively bound to carbon atoms, i.e. no insertion of a molybdenum atom into a C-H bond is observed. The reactions are efficient and highly exothermic, explaining the rich chemistry observed in the experiment.

中文翻译：

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小钼簇离子与二甲基二硫化物的气相反应性研究。

硫化钼是一种强力的制氢催化剂，在大规模电化学制氢中可作为钼的替代品进行讨论。为了进一步了解在二甲基二硫（DMDS）存在下通过溅射生产MoS2的基本步骤，通过傅里叶变换离子回旋共振质谱和密度泛函理论研究了Mox +（x = 1-3）与DMDS的反应。计算。观察到多种由钼，硫，碳和氢组成的产品。MoxSy +物种在第一步反应中与含碳和氢的产物一起形成。计算表明，优先形成强Mo-S键，然后依次形成Mo-C键。氢只与碳原子结合，即 没有观察到钼原子插入到CH键中。该反应是有效的且高度放热的，解释了在实验中观察到的丰富化学。