Cobalt‐Catalyzed Transformation of Molecular Dinitrogen into Silylamine under Ambient Reaction Conditions |
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| Authors: | Ryuji Imayoshi Dr. Hiromasa Tanaka Yuki Matsuo Dr. Masahiro Yuki Dr. Kazunari Nakajima Prof. Dr. Kazunari Yoshizawa Prof. Yoshiaki Nishibayashi |
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| Affiliation: | 1. Institute of Engineering Innovation, The University of Tokyo, Yayoi, Bunkyo‐ku, Tokyo 113‐8656 (Japan);2. ESICB, Kyoto University, Nishikyo‐ku, Kyoto 615‐8520 (Japan);3. Institute for Materials Chemistry and Engineering and International Research Center for Molecular Systems, Kyushu University, Nishi‐ku, Fukuoka 819‐0395 (Japan) |
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| Abstract: | ![]()
The first successful example of cobalt‐catalyzed reduction of N2 with Me3SiCl and Na as a reductant, under ambient reaction conditions, gives N(SiMe3)3, which can be readily converted into NH3. In this reaction system, 2,2′‐bipyridine (bpy) is found to work as an effective additive to improve substantially the catalytic activity. Co?N2 complexes bearing three Me3Si groups as ancillary ligands are considered to work as key reactive species based on DFT calculations. The DFT results also allow the proposal of a detailed reaction pathway for the transformation of N2 into N(SiMe3)3. |
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| Keywords: | cobalt density functional calculations nitrogen fixation reduction silylation |
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