Spectroscopic and crystallographic evidence for the N-protonated FeIFeI azadithiolate complex related to the active site of Fe-only hydrogenases

Fujun Wang; Mei Wang; Xiaoyang Liu; Kun Jin; Weibing Dong; Guanghua Li; Björn Åkermark; Licheng Sun

doi:10.1039/B503371C

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Spectroscopic and crystallographic evidence for the N-protonated Fe^IFe^I azadithiolate complex related to the active site of Fe-only hydrogenases†

Fujun Wang,^a Mei Wang,*^a Xiaoyang Liu,^ab Kun Jin,^a Weibing Dong,^a Guanghua Li,^b Björn Åkermark^c and Licheng Sun*^ad

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* Corresponding authors

^a State Key Laboratory of Fine Chemicals, Dalian University of Technology, Zhongshan Road 158-46, Dalian, P. R. China
E-mail: symbueno@dlut.edu.cn
Fax: +86 411 83702185
Tel: +86 411 88993886

^b State Key Laboratory of Inorganic Synthesis and Preparative Chemistry, Jilin University, Changchun, P. R. China

^c Department of Organic Chemistry, Stockholm University, Sweden

^d KTH Chemistry, Organic Chemistry, Royal Institute of Technology, Stockholm, Sweden
E-mail: lichengs@kth.se

Abstract

The complex [{(μ-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 Å lengthening of the three N–C bonds and an intramolecular H⋯Br contact (2.82 Å) in the crystalline state of the N-protonated species.

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Article information

DOI: https://doi.org/10.1039/B503371C
Article type: Communication
Submitted: 08 Mar 2005
Accepted: 15 Apr 2005
First published: 18 May 2005

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Chem. Commun., 2005, 3221-3223

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Spectroscopic and crystallographic evidence for the N-protonated Fe^IFe^I azadithiolate complex related to the active site of Fe-only hydrogenases

F. Wang, M. Wang, X. Liu, K. Jin, W. Dong, G. Li, B. Åkermark and L. Sun, Chem. Commun., 2005, 3221 DOI: 10.1039/B503371C

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