The novel dinuclear complex related to the [FeFe]-hydrogenases active site, [Fe2(μ-pdt)(κ2-dmpe)2(CO)2] (1), is highly reactive toward chlorinated compounds CHxCl4-x (x = 1, 2) affording selectively terminal or bridging chloro diiron isomers through a C-Cl bond activation. DFT calculations suggest a cooperative mechanism involving a formal concerted regioselective chloronium transfer depending on the unrotated or rotated conformation of two isomers of 1.
Chatelain, L., Arrigoni, F., Schollhammer, P., Zampella, G. (2023). C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases. INORGANIC CHEMISTRY, 62(51), 20913-20918 [10.1021/acs.inorgchem.3c03481].
C-Cl Bond Activation at Rotated vs Unrotated Dinuclear Site Related to [FeFe]-Hydrogenases
Arrigoni, Federica
;Zampella, Giuseppe
2023
Abstract
The novel dinuclear complex related to the [FeFe]-hydrogenases active site, [Fe2(μ-pdt)(κ2-dmpe)2(CO)2] (1), is highly reactive toward chlorinated compounds CHxCl4-x (x = 1, 2) affording selectively terminal or bridging chloro diiron isomers through a C-Cl bond activation. DFT calculations suggest a cooperative mechanism involving a formal concerted regioselective chloronium transfer depending on the unrotated or rotated conformation of two isomers of 1.
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