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dc.creatorSavić, Tatjana D.
dc.creatorŠaponjić, Zoran V.
dc.creatorČomor, Mirjana I.
dc.creatorNedeljković, Jovan M.
dc.creatorDramićanin, Miroslav D.
dc.creatorNikolić, Marko G.
dc.creatorVeljković, Dušan Ž.
dc.creatorZarić, Snežana D.
dc.creatorJanković, Ivana A.
dc.date.accessioned2018-11-22T00:25:21Z
dc.date.available2018-11-22T00:25:21Z
dc.date.issued2013
dc.identifier.issn2040-3364
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1590
dc.description.abstractThe surface modification of nanocrystalline TiO2 particles (45 angstrom) with salicylate-type ligands consisting of an extended aromatic ring system, specifically 3-hydroxy-2-naphthoic acid, 3,5-dihydroxy-2-naphthoic acid and 3,7-dihydroxy-2-naphthoic acid, was found to alter the optical properties of nanoparticles in a similar way to salicylic acid. The formation of the inner-sphere charge-transfer (CT) complexes results in a red shift of the semiconductor absorption compared to unmodified nanocrystallites and a reduction in the band gap upon the increase in the electron delocalization when including an additional ring. The investigated ligands have the optimal geometry for binding to surface Ti atoms, resulting in ring coordination complexes of a salicylate-type (binuclear bidentate binding-bridging) thus restoring the six-coordinated octahedral geometry of surface Ti atoms. From both absorption measurements in methanol/water = 90/10 solutions and steady-state quenching measurements of modifier fluorescence upon binding to TiO2 in aqueous solutions, stability constants in the order of 10(3) M-1 have been determined at pH 2 and pH 3. Fluorescence lifetime measurements, in the presence and absence of colloidal TiO2 nanoparticles, indicated that the fluorescence quenching process is primarily static quenching, thus proving the formation of a nonfluorescent CT complex. The binding structures were investigated by using FTIR spectroscopy. Quantum chemical calculations on model systems using density functional theory (DFT) were performed to obtain the vibrational frequencies of charge transfer complexes, and the calculated values were then compared with the experimental data.en
dc.publisherRoyal Soc Chemistry, Cambridge
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172056/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45020/RS//
dc.rightsrestrictedAccess
dc.sourceNanoscale
dc.titleSurface modification of anatase nanoparticles with fused ring salicylate-type ligands (3-hydroxy-2-naphthoic acids): a combined DFT and experimental study of optical propertiesen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractВељковић, Душан; Зарић, Снежана; Драмицанин, Мирослав Д.; Недељковиц, Јован М.; Цомор, Мирјана И.; Сапоњиц, Зоран В.; Савиц, Татјана Д.; Јанковиц, Ивана A.; Николиц, Марко Г.;
dc.citation.volume5
dc.citation.issue16
dc.citation.spage7601
dc.citation.epage7612
dc.identifier.wos000322315600065
dc.identifier.doi10.1039/c3nr01277h
dc.citation.other5(16): 7601-7612
dc.citation.rankaM21
dc.identifier.pmid23842592
dc.description.otherSupplementary material: [http://cherry.chem.bg.ac.rs/handle/123456789/3531]
dc.type.versionpublishedVersionen
dc.identifier.scopus2-s2.0-84880914973
dc.identifier.rcubKon_2421


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