Experimental and computational studies on the solvent-controlled cluster isomerism of Ru3(H)(CO)9(NPPh3) and related dynamics.
The species Ru3(H)(mu3-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.
Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università di Parma, Parco Area delle Scienze 17A, I-43100 Parma, Italy.
Roberto
R
Pattacini
Giovanni
G
Predieri
Antonio
A
Tiripicchio
Carlo
C
Mealli
Andrew D
AD
Phillips