Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones
Authorized Users Only
Article (Published version)
MetadataShow full item record
The absorption spectra of twelve 5-arylidene-2,4-thiazolidinediones were recorded in twenty one solvents in the range from 300 to 600 nm. The effect of specific and non-specific solvent-solute interactions on the absorption maxima shifts were evaluated by using the Catalan solvent parameter set. Furthermore, the experimental findings were interpreted with the aid of ab initio MP2 and time-dependent density functional (TD-DFT) methods. It was found that different substituents significantly change the extent of conjugation in the molecules and further affect their intramolecular charge transfer character. (C) 2011 Elsevier B.V. All rights reserved.
Keywords:5-arylidene-2,4-thiazolidinediones / Absorption spectra / Solvent effects / Substituent effects / Ab initio MO calculation
Source:Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy, 2012, 86, 500-507
- Pergamon-Elsevier Science Ltd, Oxford