IR spectroscopic study of halogen bonds in permethylated α-metallocenylcarbinols in the solid state (M = Fe, Ru, Os)

Abstract Reliable spectroscopic criteria are suggested which permit an assignment of the v (OH) bonds in the IR spectra of α-metallocenylcarbinols (M = Fe, Ru, Os) to intermolecular hydrogen bonds of the OH⋯O and OH⋯π types or to intramolecular hydrogen bonds of the OH⋯M type in the crystal and the melt. The effect of metal atom basicity, and of substituents in the carbinol group (R = H, Me, Ph, C 6 F 5 , Mes) and in the Cp rings on the ratio between associate and chelates is analyzed. The influence of the above factors on the character and stability of intermolecular hydrogen bonds in associates is established.