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Carbon Monoxide Binding to the Iron–Molybdenum Cofactor of Nitrogenase: a Detailed Quantum Mechanics/Molecular Mechanics Investigation

[Image: see text] Carbon monoxide (CO) is a well-known inhibitor of nitrogenase activity. Under turnover conditions, CO binds to FeMoco, the active site of Mo nitrogenase. Time-resolved IR measurements suggest an initial terminal CO at 1904 cm(–1) that converts to a bridging CO at 1715 cm(–1), and a...

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Detalles Bibliográficos
Autores principales: Spiller, Nico, Bjornsson, Ragnar, DeBeer, Serena, Neese, Frank
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8653219/
https://www.ncbi.nlm.nih.gov/pubmed/34767349
http://dx.doi.org/10.1021/acs.inorgchem.1c02649