Spectroscopic and crystallographic evidence for the N-protonated FeIFeI azadithiolate complex related to the active site of Fe-only hydrogenases |
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| Authors: | Wang Fujun Wang Mei Liu Xiaoyang Jin Kun Dong Weibing Li Guanghua Akermark Björn Sun Licheng |
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| Institution: | State Key Laboratory of Fine Chemicals, Dalian University of Technology, Dalian, P. R. China. |
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| Abstract: | The complex {(mu-SCH2)2N(CH2C6H4-2-Br)}Fe2(CO)6] and its N-protonated species, as structural models of the Fe-only hydrogenase active site, were identified spectroscopically and crystallographically, and their molecular structures show the 0.04-0.1 A lengthening of the three N-C bonds and an intramolecular HBr contact (2.82 Angstroms) in the crystalline state of the N-protonated species. |
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