Show simple item record

dc.creatorRančić, Milica
dc.creatorTrišović, Nemanja
dc.creatorMilčić, Miloš
dc.creatorUšćumlić, Gordana
dc.creatorMarinković, Aleksandar
dc.date.accessioned2021-03-10T11:57:57Z
dc.date.available2021-03-10T11:57:57Z
dc.date.issued2012
dc.identifier.issn1386-1425
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/2249
dc.description.abstractThe 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.en
dc.publisherPergamon-Elsevier Science Ltd, Oxford
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.rightsrestrictedAccess
dc.sourceSpectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy
dc.subject5-arylidene-2,4-thiazolidinedionesen
dc.subjectAbsorption spectraen
dc.subjectSolvent effectsen
dc.subjectSubstituent effectsen
dc.subjectAb initio MO calculationen
dc.titleSubstituent and solvent effects on intramolecular charge transfer of 5-arylidene-2,4-thiazolidinedionesen
dc.typearticle
dc.rights.licenseARR
dc.citation.epage507
dc.citation.other86: 500-507
dc.citation.rankM22
dc.citation.spage500
dc.citation.volume86
dc.identifier.doi10.1016/j.saa.2011.10.074
dc.identifier.pmid22153743
dc.identifier.rcubconv_3306
dc.identifier.scopus2-s2.0-83655201514
dc.identifier.wos000300515500074
dc.type.versionpublishedVersion


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record