Electronic structure description of the μ4-sulfide bridged tetranuclear Cuz center in N2O reductase

Peng Chen; Serena De Beer George; Ines Cabrito; William E. Antholine; José J. G. Moura; Isabel Moura; Britt Hedman; Keith O. Hodgson; Edward I. Solomon

doi:10.1021/ja0169623

Electronic structure description of the μ₄-sulfide bridged tetranuclear Cu_z center in N₂O reductase

Peng Chen, Serena De Beer George, Ines Cabrito, William E. Antholine, José J. G. Moura, Isabel Moura, Britt Hedman, Keith O. Hodgson, Edward I. Solomon

Research output: Contribution to journal › Article › peer-review

71 Citations (Scopus)

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 μ₄-sulfide bridged tetranuclear Cu_Z cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N₂O reduction is developed, which involves a σ superexchange pathway through the bridging sulfide.

Original language	English
Pages (from-to)	744-745
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	124
Issue number	5
DOIs	https://doi.org/10.1021/ja0169623
Publication status	Published - 6 Feb 2002

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10.1021/ja0169623Licence: CC BY-NC

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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 μ4-sulfide bridged tetranuclear CuZ cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N2O reduction is developed, which involves a σ superexchange pathway through the bridging sulfide.",

author = "Peng Chen and George, {Serena De Beer} and Ines Cabrito and Antholine, {William E.} and Moura, {Jos{\'e} J. G.} and Isabel Moura and Britt Hedman and Hodgson, {Keith O.} and Solomon, {Edward I.}",

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AU - Chen, Peng

AU - George, Serena De Beer

AU - Cabrito, Ines

AU - Antholine, William E.

AU - Moura, José J. G.

AU - Moura, Isabel

AU - Hedman, Britt

AU - Hodgson, Keith O.

AU - Solomon, Edward I.

PY - 2002/2/6

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N2 - 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 μ4-sulfide bridged tetranuclear CuZ cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N2O reduction is developed, which involves a σ superexchange pathway through the bridging sulfide.

AB - 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 μ4-sulfide bridged tetranuclear CuZ cluster of nitrous oxide reductase. Initial insight into the electronic contribution to N2O reduction is developed, which involves a σ superexchange pathway through the bridging sulfide.

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Electronic structure description of the μ₄-sulfide bridged tetranuclear Cu_z center in N₂O reductase

Abstract

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