Where does the water go? A computational study on the reactivity of a ruthenium(v) oxo complex (bpc)(bpy)RuVO

Literature Information

Publication Date 2014-05-02
DOI 10.1039/C4CP01183J
Impact Factor 3.676
Authors

Ying Wang, Mårten S. G. Ahlquist


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Abstract

Two possible reactive sites (the oxo site and the Ru site) for water on a high-valent ruthenium(V) oxo complex were examined. Our results suggest that the reaction on the ruthenium (via a seven coordinate intermediate) has both a lower barrier and a product with a lower free energy than the product of addition at the oxo.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
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