Spectroscopic and Electronic Structure Studies of the μ[sub 4]-Sulfide Bridged Tetranuclear Cu[sub z] Cluster in N[sub 2]O Reductase: Molecular Insight into the Catalytic Mechanism.

Reports on the use of spectroscopic methods combined with density functional calculations to develop a detailed bonding description of the micro[sub 4]-sulfide bridged tetranuclear Cu[sub z] cluster in nitrous oxide reductase. Configuration of the ground state of Cu[sub z]; Frontier orbital scheme that provides molecular insight into the catalytic mechanism of nitrous oxide reduction by the Cu[sub z] cluster.