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dc.creatorMarkovic, Jelena M.
dc.creatorTrišović, Nemanja
dc.creatorMutavdžić, Dragosav
dc.creatorRadotić, Ksenija
dc.creatorJuranić, Ivan
dc.creatorDrakulić, Branko
dc.creatorMarinković, Aleksandar D.
dc.date.accessioned2020-02-27T20:21:32Z
dc.date.available2020-02-27T20:21:32Z
dc.date.issued2015
dc.identifier.issn13861425
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/3431
dc.description.abstractSeven symmetrical 2,6-distyrylpyridines, phenyl-substituted with hydrogen-bond donors, hydrogenbond acceptors, halogens and hydrophobic moieties were synthesized and their spectroscopic characterization was done. Solvent effects on the absorption and fluorescence spectra were analyzed and quantified using the Kamlet–Taft and Catalán approach. The obtained results were rationalized by comparison of electrostatic potentials of the molecules in the ground and in excited state and by comparison of the frontier molecular orbitals (HOMO and LUMO), derived from quantum-mechanical calculations (HF, DFT, MP2). Analysis of the results revealed an important influence of non-specific (dispersive) interactions on the solvatochromic behavior of the compounds. 1D and 2D NMR data, in silico obtained conformational assembly of the compound, and the NMR analysis of molecular flexibility in solution (NAMFIS), were used to estimate population of conformers and to deconvolute the UV-Vis spectrum of representative derivative; inferring that the conformational assembly is more complex than was assumed in so far published literature data for this class of compounds. Along with this, the emission spectra of the representative compounds were decomposed by the Multivariate Curve Resolution analysis.sr
dc.language.isoensr
dc.publisherAmsterdam : Elseviersr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172035/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/173017/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/43007/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171017/RS//sr
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/261499/EU//sr
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/261323/EU//sr
dc.relationinfo:eu-repo/grantAgreement/EC/FP7/312763/EU//sr
dc.rightsrestrictedAccesssr
dc.sourceSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopysr
dc.subjectUV–Vis spectroscopysr
dc.subjectFluorescence spectroscopysr
dc.subjectConformational preferencessr
dc.titleSolvatochromism of symmetrical 2,6-distyrylpyridines. An experimental and theoretical studysr
dc.typearticlesr
dc.rights.licenseARRsr
dcterms.abstractМарковиц, Јелена М.; Тришовић, Немања П.; Мутавджић, Драгосав; Радотић, Ксенија; Јуранић, Иван О.; Дракулић, Бранко Ј.; Маринковић, Aлександар Д.;
dc.citation.volume135
dc.citation.spage435
dc.citation.epage446
dc.citation.rankM22
dc.description.otherSupplementary material: [http://dx.doi.org/10.1016/j.saa.2014.07.023]sr
dc.identifier.pmid25108111
dc.identifier.doi10.1016/j.saa.2014.07.023
dc.identifier.scopus2-s2.0-84907364550
dc.identifier.wos000343337700055
dc.type.versionpublishedVersionsr


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