Influence of the dielectric medium on the carbonyl infrared absorption peak of acetylferrocene

Alvarado, YJ; Pena-Suarez, JL; Cubillan, N; Labarca, PH; Caldera-Luzardo, JA; Lopez-Linares, F

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 theta(epsilon)L(n(2)) 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.

Más información

Título según WOS: ID WOS:000228994000017 Not found in local WOS DB
Título de la Revista: MOLECULES
Volumen: 10
Número: 2
Editorial: MDPI
Fecha de publicación: 2005
Página de inicio: 457
Página final: 474
DOI:

10.3390/10020457

Notas: ISI