Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia

Hiromasa Tanaka, Kazuya Arashiba, Shogo Kuriyama, Akira Sasada, Kazunari Nakajima, Kazunari Yoshizawa, Yoshiaki Nishibayashi

研究成果: ジャーナルへの寄稿記事

76 引用 (Scopus)

抄録

It is vital to design effective nitrogen fixation systems that operate under mild conditions, and to this end we recently reported an example of the catalytic formation of ammonia using a dinitrogen-bridged dimolybdenum complex bearing a pincer ligand, where up to twenty three equivalents of ammonia were produced based on the catalyst. Here we study the origin of the catalytic behaviour of the dinitrogen-bridged dimolybdenum complex bearing the pincer ligand with density functional theory calculations, based on stoichiometric and catalytic formation of ammonia from molecular dinitrogen under ambient conditions. Comparison of di- and mono-molybdenum systems shows that the dinitrogen-bridged dimolybdenum core structure plays a critical role in the protonation of the coordinated molecular dinitrogen in the catalytic cycle.

元の言語英語
記事番号3737
ジャーナルNature communications
5
DOI
出版物ステータス出版済み - 4 28 2014

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Bearings (structural)
Ammonia
ammonia
Molybdenum
Ligands
ligands
molybdenum
Nitrogen fixation
nitrogenation
Nitrogen Fixation
Protonation
Density functional theory
density functional theory
catalysts
cycles
Catalysts

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Biochemistry, Genetics and Molecular Biology(all)
  • Physics and Astronomy(all)

これを引用

Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia. / Tanaka, Hiromasa; Arashiba, Kazuya; Kuriyama, Shogo; Sasada, Akira; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki.

:: Nature communications, 巻 5, 3737, 28.04.2014.

研究成果: ジャーナルへの寄稿記事

Tanaka, Hiromasa ; Arashiba, Kazuya ; Kuriyama, Shogo ; Sasada, Akira ; Nakajima, Kazunari ; Yoshizawa, Kazunari ; Nishibayashi, Yoshiaki. / Unique behaviour of dinitrogen-bridged dimolybdenum complexes bearing pincer ligand towards catalytic formation of ammonia. :: Nature communications. 2014 ; 巻 5.
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