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Density functional theory study on the mechanism of the reductive cleavage of CO 2 by a bis-β-Diketoiminatediiron Dinitrogen complex

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Authors

Ariafard, Alireza
Brookes, Nigel J
Stranger, Robert
Boyd, Peter
Yates, Brian F

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American Chemical Society

Abstract

Density functional theory has been used to analyze the detailed reaction mechanism for the reductive cleavage of CO2 by a dinitrogen bridged bis-β-diketoiminatediiron complex, LtBuFe-N2-FeL tBu (I), recently reported by Holland and co-workers. A number o

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Inorganic Chemistry

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2037-12-31