Influence of the Dielectric Medium on the Carbonyl Infrared Absorption Peak of Acetylferrocene

Abstract

The solvent effect on the position of the carbonyl vibrational stretching of acetylferrocene in aprotic media was studied in this work. The solvent-induced shifts in this organometallic compound were interpreted in terms of the alternative reaction field model (SCRF-MO) proposed by Kolling. In contrast to the established trends for carbonyl groups in organic systems, the results suggest that the continuum models for the reaction field are not adequate and that the influence of dipolarity-polarizability described by an inhomogeneous coupling function θ (ε)L(n2) that assumes optical dielectric saturation is responsible for the carbonyl band shift and, there is empirical evidence that the effect of field-induced intermolecular interaction on band shift, interpreted in terms of the van der Waals forces from the solvent, have a important contribution to this phenomena.

Second order multivariate curve resolution of Fourier transform infrared spectroscopic data of the photo-induced crosslinking of thymine functionalized polymers

“…Bookmark not defined.]. Specifically, the C=O vibrational stretching frequency in the IR spectra, has been reported to shift toward smaller wavenumbers as the polarity of the solvent increases [42]. The experimental vibrational stretching frequencies of the carbonyl absorption band (in cm -1 ) for different VBT1:VBA m copolymers in different solvents and/or solvent mixtures at 20ºC are presented in Table 1, together with the dielectric constant of each solvent.…”