Experimental and computational studies on the solvent-controlled cluster isomerism of Ru-3(H)(CO)(9)(NPPh3) and related dynamics

摘要

The species Ru-3(H)(mu(3)-NPPh3)(CO)(9) occurs in the solid state as two isomers, characterized either by one capping hydride and three CO bridges (1a) or by one bridging hydride and all terminals COs (1b); key intermediates for the formation, fluxionality and solvent-dependent interconversion of the isomers are highlighted through a DFT MO analysis.