FTIR spectroscopy was used to measure the extent of solvent-solute interactions of  Fe(CO)5, Ru(CO)5, and Os(CO)5  in benzene, fluorobenzene, and pentafluorobenzene solutions. It was determined that between 60 and 80 percent of M(CO)5  molecules from a complex with a single solvent molecule under ambient conditions. The Gibbs free energy and the equilibrium constant for this reaction were found to range between -3.1 to -5.2 kJ/mol and 3.5 to 8.3, respectively. DFT calculations suggest that complexation occurs by electron donation from the completing arene to the carbonyl ligands of the metal compound at a distance of between 350 and 500pm from the metal center to the benzene plane.

Solution dynamics of group 8 metal pentacarbonyls in fluorinated benzene solvents

249th National Meeting (2015)

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