Fourier transform infrared spectra of three titanium tetrachloride-ethyl benzoate complexes. Assignment based on five isotopic homologues and extension of the ethyl benzoate force field

Article abstract of DOI:10.1016/0584-8539(92)80045-X

FTIR spectra (200-1750 cm^-1) are given for (TiCl4EB)2, (TiCl4)2EB and TiCl4EB2, where EB is ethyl benzoate.A full assignment is given for (TiCl4EB)2 based on extension of an ethyl benzoate force field and four isotopically labelled complexes with 18O-carbonyl-EB, d₅-EB, Ed₅-B and d₅-Ed₅-B.There is no evidence for bidentate complexation or complexation through the ether oxygen in any of the complexes.A strong coupling between the α-C-O stretching vibration and the ethyl group deformations can make simplified interpretations of differences between spectra misleading.