title: Synthesis and characterization of a series of model complexes of the active site of [Fe]-hydrogenase (Hmd).
abstract: A series of Fe complexes were synthesized and characterized as small molecule mimics for the active site of [Fe]-hydrogenase (Hmd). The collection includes both structurally new compounds and analogues of previously reported models. These complexes contain the essential ligands of the enzyme, namely, acyl, CO, pyridone, and sulfur ligands. They serve as IR and Mössbauer spectroscopic models for the Fe center in [Fe]-hydrogenase. The field-dependent Mössbauer study of representative model complexes shows that the sign and absolute value of the quadrupole splitting are sensitive to the change in the ligand environment of the Fe center.
authors.affiliation: Laboratory of Inorganic Synthesis and Catalysis, Institute of Chemical Sciences and Engineering, Ecole Polytechnique Fédérale de Lausanne (EPFL), SB-ISIC-LSCI, BCH 3305, Lausanne CH 1015, Switzerland.
authors.forename: Dafa
authors.initials: D
authors.lastname: Chen
authors.forename: Annegret
authors.initials: A
authors.lastname: Ahrens-Botzong
authors.forename: Volker
authors.initials: V
authors.lastname: Schünemann
authors.forename: Rosario
authors.initials: R
authors.lastname: Scopelliti
authors.forename: Xile
authors.initials: X
authors.lastname: Hu
mesh_terms: D055162:Biocatalysis; D020134:Catalytic Domain; D018360:Crystallography, X-Ray; D005290:Ferric Compounds / Q000737:chemistry* / Q000378:metabolism*; D006864:Hydrogenase / Q000737:chemistry / Q000378:metabolism*; D007506:Iron-Sulfur Proteins / Q000737:chemistry / Q000378:metabolism*; D008024:Ligands; D008958:Models, Molecular; D008968:Molecular Conformation; D013237:Stereoisomerism
chemical_list: D005290:Ferric Compounds; D007506:Iron-Sulfur Proteins; D008024:Ligands; C118830:iron hydrogenase; D006864:Hydrogenase