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dc.creatorKovac, Tijana S.
dc.creatorDzunuzovic, Enis S.
dc.creatorDžunuzović, Jasna
dc.creatorMilicevic, Bojana
dc.creatorSredojević, Dušan
dc.creatorBrothers, Edward N.
dc.creatorNedeljković, Jovan M.
dc.date.accessioned2019-01-30T18:00:08Z
dc.date.available2019-01-30T18:00:08Z
dc.date.issued2018
dc.identifier.issn0352-5139
dc.identifier.urihttp://cer.ihtm.bg.ac.rs/handle/123456789/2422
dc.description.abstractSurface modification of titanium dioxide nanoparticles (TiO2 NPs) with the biologically active molecule pyridoxine hydrochloride (vitamin B-6) was found to alter the optical properties. Microstructural characterization involving transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis revealed that the anatase TiO2 NPs had a narrow size distribution with an average diameter of 45 angstrom. The absorption onset of the surface-modified TiO2 samples was red-shifted by about 0.4 eV compared to the unmodified particles. The mode of binding between vitamin B-6 and the surface Ti atoms was investigated by Fourier transform infrared spectroscopy (FTIR). From the Benesi-Hildebrand plot, the stability constant of the surface complex was found to be of the order 10(2) M-1. The experimental findings were supported by detailed quantum chemical calculations based on the density functional theory (DFT). Agreement was found between the experimentally measured absorption spectra of the TiO2 NPs surface-modified with vitamin B-6 and the theoretically calculated electronic excitation spectra of the corresponding model system.en
dc.publisherSerbian Chemical Society
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172062/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45020/RS//
dc.rightsopenAccess
dc.sourceJournal of the Serbian Chemical Society
dc.subjectanataseen
dc.subjectpyridoxine hydrochlorideen
dc.subjectcharge transfer complexen
dc.subjectoptical propertiesen
dc.subjectquantum chemical calculationsen
dc.titleVisible light absorption of TiO2 nanoparticles surface-modified with vitamin B-6: A comparative experimental and DFT studyen
dc.typearticle
dc.rights.licenseBY-NC-ND
dcterms.abstractДзунузовиц, Енис С.; Недељковиц, Јован М.; Ковац, Тијана С.; Бротхерс, Едwард Н.; Средојевиц, Дусан Н.; Милицевиц, Бојана; Джунузовић, Јасна;
dc.citation.volume83
dc.citation.issue7-8
dc.citation.spage899
dc.citation.epage909
dc.citation.other83(7-8): 899-909
dc.citation.rankM23
dc.identifier.doi10.2298/JSC180131044K
dc.identifier.rcubConv_3978
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs//bitstream/id/8784/2420.pdf
dc.identifier.scopus2-s2.0-85067088915
dc.identifier.wos000441529600009
dc.type.versionpublishedVersion


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