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

Laboratorio de Electrónica Molecular, Departamento de Química, Facultad Experimental de Ciencias, La Universidad del Zulia, Venezuela
Laboratorio de Química de los Metales de Transición, Centro de Química, Instituto Venezolano de Investigaciones Científicas Altos de Pipe, Venezuela
Authors to whom correspondence should be addressed.
Molecules 2005, 10(2), 457-474;
Received: 2 June 2004 / Revised: 12 December 2004 / Accepted: 15 December 2004 / Published: 28 February 2005
The solvent effect on the position of the carbonyl vibrational stretching ofacetylferrocene in aprotic media was studied in this work. The solvent-induced shifts in thisorganometallic compound were interpreted in terms of the alternative reaction field model(SCRF-MO) proposed by Kolling. In contrast to the established trends for carbonyl groupsin organic systems, the results suggest that the continuum models for the reaction field arenot adequate and that the influence of dipolarity-polarizability described by aninhomogeneous coupling function θ (ε ) L(n 2 ) that assumes optical dielectric saturation isresponsible for the carbonyl band shift and, there is empirical evidence that the effect offield-induced intermolecular interaction on band shift, interpreted in terms of the van derWaals forces from the solvent, have a important contribution to this phenomena. View Full-Text
Keywords: Frequency shift; SCRF-MO model; acetylferrocene. Frequency shift; SCRF-MO model; acetylferrocene.
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Alvarado, Y.; Peña-Suárez, J.; Cubillán, N.; Labarca, P.; Caldera-Luzardo, J.; López-Linares, F. Influence of the Dielectric Medium on the Carbonyl Infrared Absorption Peak of Acetylferrocene. Molecules 2005, 10, 457-474.

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