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首页> 外文期刊>Catalysis science & technology >A study on the rules of ligands in highly efficient Ru-amide/AC catalysts for acetylene hydrochlorination
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A study on the rules of ligands in highly efficient Ru-amide/AC catalysts for acetylene hydrochlorination

机译：一项研究在高配体的规则高效的乙炔Ru-amide / AC催化剂氢氯化反应

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摘要

To explore the role of substituents on ligands in the modification of metal catalysts, a series of Ru-amide/AC catalysts are synthesized with various amide ligands derived from formamide and assessed for acetylene hydrochlorination. Activity evaluation reveals a rule that replacing a hydrogen on formamide with an electron donor substituent can enhance the catalytic performance, while electron withdrawing substituents have the opposite effect. However, formanilide, which violates this law, shows the best modification effect, which is proved to be the effect of steric hindrance by characterization and DFT calculation. Therefore, another rule is concluded that the electron donor ability and steric hindrance of substituents on amide ligands jointly affect the modification effect. Finally, benzanilide, with a superior modification effect, which searched based on the above results, gives strong evidence for the correction of these rules. This work provides a theoretical basis for the search for efficient ligands for acetylene hydrochlorination.
机译：探讨配体上取代基的角色金属催化剂的改性,一系列的Ru-amide / AC催化剂是合成的各种来自甲酰胺酰胺配体和对乙炔氢氯化反应评估。活动评估显示规则取代一个氢甲酰胺与电子供体取代基可以提高催化能力,而电子撤回取代基产生相反的效果。违反本法甲酰苯胺,显示了改性效果最好,这是证明位阻的影响描述和DFT计算。另一个规则是得出结论,电子供体能力和取代基的位阻酰胺配体共同影响的修改的效果。修改效果,搜索的基础上以上结果,提供了强有力的证据这些规则的修正。寻找有效的理论依据对乙炔氢氯化反应配体。

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