Binuclear ruthenium carbonyl nitrosyls: Comparison with Fe2(NO)2(CO)n and Rh2(CO)n

The structures and energetics of the binuclear ruthenium carbonyl nitrosyls Ru2(NO)2(CO)n (n = 7, 6, 5, 4) have been studied by density functional theory for comparison with the isovalent Fe2(NO)2(CO)n and Rh2(CO)n+2 systems. Bridging NO groups are generally preferred over bridging CO groups.