title: Substituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinediones.
abstract: 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 Catalán 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.
authors.affiliation: Faculty of Forestry Science, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade, Serbia.
authors.forename: Milica
authors.initials: M
authors.lastname: Rančić
authors.forename: Nemanja
authors.initials: N
authors.lastname: Trišović
authors.forename: Miloš
authors.initials: M
authors.lastname: Milčić
authors.forename: Gordana
authors.initials: G
authors.lastname: Ušćumlić
authors.forename: Aleksandar
authors.initials: A
authors.lastname: Marinković
mesh_terms: D000042:Absorption; D004583:Electrons; D007700:Kinetics; D008958:Models, Molecular; D012044:Regression Analysis; D012997:Solvents / Q000737:chemistry*; D013816:Thermodynamics; D045162:Thiazolidinediones / Q000737:chemistry*
chemical_list: D012997:Solvents; D045162:Thiazolidinediones