title: Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase.
abstract: Spectroscopy coupled with density functional calculations has been used to define the spin state, oxidation states, spin distribution, and ground state wave function of the mu4-sulfide bridged tetranuclear CuZ cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N2O reduction is developed, which involves a sigma superexchange pathway through the bridging sulfide.
authors.affiliation: Department of Chemistry, Stanford University, Stanford, California 94305, USA.
authors.forename: Peng
authors.initials: P
authors.lastname: Chen
authors.forename: Serena
authors.initials: S
authors.lastname: DeBeer George
authors.forename: Inês
authors.initials: I
authors.lastname: Cabrito
authors.forename: William E
authors.initials: WE
authors.lastname: Antholine
authors.forename: José J G
authors.initials: JJ
authors.lastname: Moura
authors.forename: Isabel
authors.initials: I
authors.lastname: Moura
authors.forename: Britt
authors.initials: B
authors.lastname: Hedman
authors.forename: Keith O
authors.initials: KO
authors.lastname: Hodgson
authors.forename: Edward I
authors.initials: EI
authors.lastname: Solomon
mesh_terms: D002942:Circular Dichroism; D003300:Copper / Q000737:chemistry*; D004578:Electron Spin Resonance Spectroscopy; D015394:Molecular Structure; D010088:Oxidoreductases / Q000737:chemistry*; D013052:Spectrometry, X-Ray Emission / Q000379:methods; D013440:Sulfides / Q000737:chemistry*
chemical_list: D013440:Sulfides; D003300:Copper; D010088:Oxidoreductases; C022763:nitrous oxide reductase