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首页> 外文期刊>RSC Advances >Effect of Fe, Co and Ni promoters on MoS2 based catalysts for chemoselective hydrogenation of nitroarenes
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Effect of Fe, Co and Ni promoters on MoS2 based catalysts for chemoselective hydrogenation of nitroarenes

机译：Fe，Co和Ni启动子对硝基酮化学选择性氢化MOS2催化剂的影响

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摘要

The effect of Fe, Co and Ni promoters on supported MoS _(2) catalysts for hydrogenation of nitroarenes were systematically investigated via experiment, characterization and DFT calculation. It was found that the addition of promoters remarkably improved the reaction activity in a sequence of Ni > Co > Fe > Mo. Meanwhile Ni promoted catalyst with the best performance showed good recyclability and chemoselectivity for a wide substrate scope. The characterization results revealed that the addition of promoters decreased the interaction between Mo and support and facilitated the reductive sulfidation of Mo species to produce more coordinated unsaturated sites (CUS). DFT calculations showed that the addition of promoters increased the formation of CUS, and enhanced the adsorption of hydrogen. The influence degree of promoters followed the sequence Ni > Co > Fe > Mo, which was consistent with those of the activities. Nitrobenzene hydrogenation and hydrogen activation occurred at the S and Mo edge, respectively. The adsorbed hydrogen diffused from the Mo edge to the S edge to participate in the hydrogenation reaction. Mechanism investigation showed that the main reason for increased activity by the addition of promoters was the increase of amounts of CUS and the secondary reason was the augmentation of intrinsic activity of CUS. The present studies give a new understanding for promoter modified MoS _(2) catalysts applied for hydrogenation of nitroarenes.
机译：通过实验，表征和DFT计算系统地研究了Fe，Co和Ni启动子对支持的MOS _（2）氢化氢化催化剂的影响。结果发现，增量剂在Ni> CO> Fe> Mo的序列中显着改善了反应活性。同时Ni促进催化剂具有最佳性能的催化剂，表明宽基板范围的良好可回收性和化学选择性。表征结果表明，增量的启动子降低了Mo与载体之间的相互作用，并促进了Mo物种的还原硫化，以产生更多配位的不饱和位点（CU）。 DFT计算表明，添加剂增加了CU的形成，增强了氢的吸附。启动子的影响程度遵循序列Ni> Fe> Mo，其与活性的那些。硝基苯氢化和氢活化分别发生在S和Mo边缘。吸附的氢从Mo边缘扩散到S边缘以参与氢化反应。机制调查显示，通过添加启动子增加活性的主要原因是CU的增加，二次出因是增强CU的内在活性。本研究对施用氢化氢化的启动子改性MOS _（2）催化剂具有新的理解。

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