Cavigliasso, German; Christian, Gemma; Stranger, Robert; Yates, Brian F
The activation and scission of the N-O bond in nitric oxide using dinuclear mixed-metal species, comprising transition elements with d3 and d2 configurations and trisamide ligand systems, have been investigated by means of density functional calculations. The [Cr(iii)-V(iii)] system is analyzed in detail and, for comparative purposes, the [Mo(iii)-Nb(iii)], [W(iii)-Ta(iii)], and (mixed-row) [Mo(iii)-V(iii)] systems are also considered. The overall reaction and individual intermediate steps are...[Show more]
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