Effect of cyanide ligands on the electronic structure of [FeFe] hydrogenase active-site model complexes with an azadithiolate cofactor

Chemistry - A European Journal

Volumn 19, Issue 43, 2013, Pages 14566-14572

  Erdem, Özlen F ^a   Stein, Matthias ^b   Kaur Ghumaan, Sandeep ^c,d   Reijerse, Edward J ^a   Ott, Sascha ^c   Lubitz, Wolfgang ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b MAX PLANCK INSTITUTE FOR DYNAMICS OF COMPLEX TECHNICAL SYSTEMS   (Germany)

^c UPPSALA UNIVERSITY   (Sweden)

^d UNIVERSITY OF DELHI   (India)

Author keywords

biomimetic synthesis; cyanides; density functional calculations; EPR spectroscopy; isoelectronic analogues

Indexed keywords

ACTIVE-SITE MODELING; ANALOGOUS COMPLEXES; BIOMIMETIC SYNTHESIS; COORDINATION SPHERE; ELECTRON PARAMAGNETIC RESONANCES (EPR); EPR SPECTROSCOPY; ISOELECTRONIC ANALOGUES; NITROGEN HYPERFINE COUPLING;

BIOMIMETIC PROCESSES; CYANIDES; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC STRUCTURE; FOURIER TRANSFORM INFRARED SPECTROSCOPY; IRON COMPOUNDS; NITROGEN; PARAMAGNETIC RESONANCE;

LIGANDS;

COORDINATION COMPOUND; CYANIDE; FERROUS ION; HYDROGENASE; IRON HYDROGENASE; IRON SULFUR PROTEIN; LIGAND; THIOL DERIVATIVE;

ARTICLE; BIOMIMETIC SYNTHESIS; CHEMICAL STRUCTURE; CHEMISTRY; DENSITY FUNCTIONAL CALCULATIONS; ELECTRON; ELECTRON SPIN RESONANCE; ENZYME ACTIVE SITE; ISOELECTRONIC ANALOGUES; METABOLISM; OXIDATION REDUCTION REACTION; THERMODYNAMICS;

BIOMIMETIC SYNTHESIS; CYANIDES; DENSITY FUNCTIONAL CALCULATIONS; EPR SPECTROSCOPY; ISOELECTRONIC ANALOGUES;

CATALYTIC DOMAIN; COORDINATION COMPLEXES; CYANIDES; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONS; FERROUS COMPOUNDS; HYDROGENASE; IRON-SULFUR PROTEINS; LIGANDS; MODELS, MOLECULAR; OXIDATION-REDUCTION; SULFHYDRYL COMPOUNDS; THERMODYNAMICS;

EID: 84885600706     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201302467     Document Type: Article

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