FTIR and DFT-D investigation of the structure of ruthenium pentacarbonyl in small alcohol solvents

► Ru(CO)5 efficiently hexacoordinates with a solvent molecule in small alcohol media. ► DFT-D calculations predict a geometry of ∼375 pm from metal center to hydroxyl O. ► Complex formation results in stabilization of solvent and destabilization of Ru(CO)5.