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Computational Study of CO(2) Reduction Catalyzed by Iron(I) Complex at Different Spin States: Cooperativity of Hydrogen Bonding and Auxiliary Group Effect
[Image: see text] To explore alternative approaches to the CO(2) reduction to formate and provide an insight into the spin state effect on the CO(2) reduction, we theoretically designed a kind of low-valence iron(I) model complex, whose doublet, quartet, and sextet states are denoted as (2)Fe(I), (4...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8637949/ https://www.ncbi.nlm.nih.gov/pubmed/34870020 http://dx.doi.org/10.1021/acsomega.1c04758 |