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Mechanistic Insight We used DFT calculations to obtain insight into the mechanism of NO reduction and N-N bond formation by the model complex
[Fe2(BPMP)(OPr)(NO)2]X2. Our calculations identify key hyponitrite intermediates on the pathway towards N2O
generation.
C. Van Stappen, N. Lehnert "Mechanism of N-N Bond Formation by Transition Metal-Nitrosyl Complexes: Modeling Flavodiiron Nitric Oxide Reductases" Inorg. Chem. 2018, 57, 4252-4269 |
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