有機合成化学協会誌
Online ISSN : 1883-6526
Print ISSN : 0037-9980
ISSN-L : 0037-9980
Accounts
Theoretical Views on Catalytic Reaction Pathways for Nitrogen Fixation by Dinitrogen-Bridging Dimolybdenum Complexes
江木 晃人田中 宏昌吉澤 一成
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ジャーナル オープンアクセス

2021 年 79 巻 11 号 p. 1041-1049

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Catalytic nitrogen fixation reactions using metal complexes have been developed both experimentally and theoretically. In particular, the catalytic activity of the system using dinitrogen-bridging dimolybdenum complexes as reaction intermediates is significant. The Mo-NN-Mo core structure in the dimolybdenum complex plays an important role in the catalytic reaction. In this account, the role of the Mo-NN-Mo structure of the dinuclear molybdenum complex is explained qualitatively in terms of the orbital interaction. A catalytic cycle including the dimolybdenum intermediates obtained from density functional theory (DFT) calculations is also presented.

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© 2021 The Society of Synthetic Organic Chemistry, Japan
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