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

Research output: Contribution to journalArticlepeer-review

67 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)744-745
Number of pages2
JournalJournal of the American Chemical Society
Issue number5
Publication statusPublished - 6 Feb 2002


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