The Photochemistry of Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub>(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation

The Photochemistry of Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub>(µ-CO) and Its Oxidized Form, Two Simple [FeFe]-Hydrogenase CO-Inhibited Models. A DFT and TDDFT Investigation

Fe<sup>I</sup>Fe<sup>I</sup> Fe<sub>2</sub>(S<sub>2</sub>C<sub>3</sub>H<sub>6</sub>)(CO)<sub>6</sub>(µ-CO) (<b><sup>1</sup>a–CO</b>) and its Fe<sup>I</sup>Fe<sup>II</sup&g...

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Bibliographic Details
Main Authors: Federica Arrigoni, Giuseppe Zampella, Luca De Gioia, Claudio Greco, Luca Bertini
Format: Article
Language:English
Published: MDPI AG 2021-02-01
Series:Inorganics
Subjects:
metal-carbonyl complexes
[FeFe]-hydrogenases
density functional theory
time-dependent DFT
organometallic photochemistry
Online Access:https://www.mdpi.com/2304-6740/9/2/16

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