Bimetallic iron–tin catalyst for N2 to NH3 and a silyldiazenido model intermediate

A tin-supported iron catalyst produces 5.9 turnovers of NH3 from N2, using [Ph2NH2]OTf as the acid and CoCp2* as the reductant. Two redox states of the Fe(N2) adduct and an Fe silyldiazenido complex were characterized using X-ray crystallography along with NMR and Mössbauer spectroscopies. Density f...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2020-01, Vol.56 (75), p.11030-11033
Main Authors: Dorantes, Michael J, Moore, James T, Eckhard, Bill, Mienert, Bernd, Lu, Connie C
Format: Article
Language:eng ; jpn
Subjects:
Ammonia
Bimetals
Catalysis
Catalysts
Chemical synthesis
Crystallography
Density functional theory
Iron
NMR
Nuclear magnetic resonance
Reducing agents
Tin
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Summary:A tin-supported iron catalyst produces 5.9 turnovers of NH3 from N2, using [Ph2NH2]OTf as the acid and CoCp2* as the reductant. Two redox states of the Fe(N2) adduct and an Fe silyldiazenido complex were characterized using X-ray crystallography along with NMR and Mössbauer spectroscopies. Density functional theory calculations reveal that the charge on the Sn center correlates strongly with both the polarization of the N2 moiety and the charge on the distal N atom.
ISSN:1359-7345
1364-548X
DOI:10.1039/d0cc04563b