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dc.creatorBanjac, Nebojša R.
dc.creatorTrišović, Nemanja
dc.creatorVitnik, Željko
dc.creatorVitnik, Vesna
dc.creatorValentić, Nataša V.
dc.creatorUšćumlić, Gordana
dc.creatorJuranić, Ivan
dc.date.accessioned2019-01-30T17:34:07Z
dc.date.available2019-01-30T17:34:07Z
dc.date.issued2013
dc.identifier.issn0026-9247
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/1173
dc.description.abstractTwo series of 1-aryl-3-phenyl- and 1-aryl-3,3-diphenylpyrrolidine-2,5-diones were synthesized and their solvatochromic properties were studied in a set of 15 solvents of different polarity. The effect of specific and non-specific solvent-solute interactions on the position of their absorption bands was evaluated by using the solvent parameter sets of Kamlet and Taft. The interpretation of the effect of different substituent patterns on the solvatochromic properties of the investigated compounds was based on quantum chemical calculations performed by the density functional theory (DFT)/CAM-B3LYP method using the 6-311G(d,p) basis set. The theoretical absorption frequencies show very good agreement with the experimental values. The energy gaps between the HOMO and LUMO orbitals were also analyzed. It is demonstrated that different substituents change the conjugation effect and further determine the pathways of intramolecular charge transfer.en
dc.publisherSpringer Wien, Wien
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//
dc.rightsrestrictedAccess
dc.sourceMonatshefte Fur Chemie
dc.subjectSuccinimidesen
dc.subjectAbsorption spectraen
dc.subjectSolvent effecten
dc.subjectQuantum chemical calculationsen
dc.titleSolvatochromic and quantum chemical investigations of newly synthesized succinimides: substituent effect on intramolecular charge transferen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractУсцумлиц, Гордана; Јураниц, Иван; Трисовиц, Немања П.; Бањац, Небојса; Валентиц, Натаса; Витник, Весна; Витник, Жељко;
dc.citation.volume144
dc.citation.issue10
dc.citation.spage1525
dc.citation.epage1535
dc.citation.other144(10): 1525-1535
dc.citation.rankM22
dc.identifier.doi10.1007/s00706-013-1052-1
dc.identifier.rcubConv_3036
dc.identifier.scopus2-s2.0-84885320419
dc.identifier.wos000324589300010
dc.type.versionpublishedVersion


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