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A theoretical investigation of iron-catalyzed selective hydrogenation of nitriles to secondary imines.

  • 【作者】Huo, Rui-Ping,Zhang, Xiang,Zhang, Cai-Feng,Qin, Hong-Hong,Wang, Rui-Xue
  • 【刊名】Chemical Physics Letters
  • 【作者单位】1 Department of Chemistry, Taiyuan Normal University, Jinzhong 030619, China 2 Key Laboratory of Magnetic Molecules & Magnetic Information Materials Ministry of Education, The School of Chemical and Material Science, Shanxi Normal University, Linfen 041004, China 3 Humic Acid Engineering and Technology Research Center of Shanxi Province, Jinzhong 030619, China
  • 【年份】2021
  • 【卷号】Vol.762
  • 【ISSN】0009-2614
  • 【关键词】Hydrogen borrowing Iron catalysis Nitriles hydrogenation Secondary imines Theoretical investigation 
  • 【摘要】 The mechanism of Iron-catalyzed hydrogenation of nitriles involves two processes. • NH 3 -assisted H-migration greatly lowers the barriers in all the H-migration steps. • Theoretical mechanism well explains the experimental results. The mechanism of ...
  • 【文献类型】 期刊
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