Document Detail


Influence of the dielectric medium on the carbonyl infrared absorption peak of acetylferrocene.
MedLine Citation:
PMID:  18007317     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
Ysaías J Alvarado; José Lucas Peña-Suárez; Néstor Cubillán; Paola H Labarca; José A Caldera-Luzardo; Francisco López-Linares
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Publication Detail:
Type:  Journal Article     Date:  2005-02-28
Journal Detail:
Title:  Molecules (Basel, Switzerland)     Volume:  10     ISSN:  1420-3049     ISO Abbreviation:  Molecules     Publication Date:  2005  
Date Detail:
Created Date:  2007-11-16     Completed Date:  2008-01-29     Revised Date:  2009-10-27    
Medline Journal Info:
Nlm Unique ID:  100964009     Medline TA:  Molecules     Country:  Switzerland    
Other Details:
Languages:  eng     Pagination:  457-74     Citation Subset:  IM    
Affiliation:
Laboratorio de Electrónica Molecular, Departamento de Química, Facultad Experimental de Ciencias, La Universidad del Zulia, Venezuela . yalvarado@hotmail.com
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MeSH Terms
Descriptor/Qualifier:
Absorption / drug effects
Carbon / chemistry*
Ferrous Compounds / chemistry*
Models, Chemical
Solvents / chemistry*,  pharmacology*
Spectrophotometry, Infrared*
Chemical
Reg. No./Substance:
0/Ferrous Compounds; 0/Solvents; 102-54-5/ferrocene; 1271-55-2/1-acetylferrocene; 7440-44-0/Carbon

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine


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