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cis,cis-[(bpy)RuO]O Catalyzes Water Oxidation Formally via in Situ Generation of Radicaloid Ru—O•.

The mechanism of the catalytic oxidation of water by cis,cis-[(bpy)2Ru(OH)] to give molecular dioxygen was investigated using Density Functional Theory (DFT). A series of four oxidation and four deprotonation events generate the catalytically competent species cis,cis-[(bpy)RuO]O, which breaks the H...

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Published in:Journal of the American Chemical Society Vol. 128; no. 23; pp. 7476 - 7486
Main Authors: Xiaofan Yang, Mu-Hyun Baik
Format: Article
Published: American Chemical Society 6/14/2006
Subjects:
Oxidation
Density functionals
Chemical bonds
Oxidation-reduction reaction
Protons
Charge transfer
Online Access:View this record in EBSCOhost