Where does the water go? A computational study on the reactivity of a ruthenium(V) oxo complex (bpc)(bpy)Ru(V)O.
نویسندگان
چکیده
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.
منابع مشابه
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 16 23 شماره
صفحات -
تاریخ انتشار 2014