Electronic structure description of the mu(4)-sulfide bridged tetranuclear Cu(Z) center in N(2)O reductase.
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.
Chen
Peng
P
Department of Chemistry, Stanford University, Stanford, California 94305, USA.
DeBeer George
Serena
S
Cabrito
Inês
I
Antholine
William E
WE
Moura
José J G
JJ
Moura
Isabel
I
Hedman
Britt
B
Hodgson
Keith O
KO
Solomon
Edward I
EI
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*
D013440:Sulfides; D003300:Copper; D010088:Oxidoreductases; C022763:nitrous oxide reductase