Mechanism of water splitting and oxygen-oxygen bond formation by a mononuclear ruthenium complex.

Abstract

Density functional theory (DFT) predicts a detailed mechanism for the reported potential photocatalytic system for solar hydrogen production from water, (P-da-PNN)RuH(CO) (1, P-da = dearomatized at the phosphorus side arm, PNN = (2-(di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine) (Science 2009, 324, 74). In the initial thermal reaction, the… (More)
DOI: 10.1021/ja9041065

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@article{Yang2010MechanismOW, title={Mechanism of water splitting and oxygen-oxygen bond formation by a mononuclear ruthenium complex.}, author={Xinzheng Yang and Michael B. Hall}, journal={Journal of the American Chemical Society}, year={2010}, volume={132 1}, pages={120-30} }