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dc.contributor.authorSidir, İsa
dc.contributor.authorSidir, Yadigar Gülseven
dc.contributor.authorBerber, Halil
dc.contributor.authorDemiray, Ferhat
dc.date.accessioned2019-10-20T09:02:57Z
dc.date.available2019-10-20T09:02:57Z
dc.date.issued2015
dc.identifier.issn0167-7322
dc.identifier.issn1873-3166
dc.identifier.urihttps://dx.doi.org/10.1016/j.molliq.2015.01.056
dc.identifier.urihttps://hdl.handle.net/11421/16578
dc.descriptionWOS: 000355571800008en_US
dc.description.abstractThe absorption and fluorescence spectra of three 2-((phenylimino)methyl)phenol derivatives have been evaluated in a series of organic solvents. The ground state (mu(g)) and excited state (mu(e)) dipole moments are determined by means of Lippert-Mataga, Bakhshiev, Kaski-Chamma-Viallet and Reichardt solvatochromic shift methods based on the solvent polarity parameters. Excited state dipole moments are found as larger than the ground state dipole moment due to substantial redistribution of the pi-electron density in more polar excited state and thus resonance structures of 2-((phenylimino)methyl)phenol derivatives are analyzed. Solute-solvent interactions are analyzed by means of linear solvation energy relationships (LSER) using dielectric constant function f(epsilon), refractive index function f(n) and Kamlet-Taft parameters (H-bond donor ability, alpha and H-bond acceptor ability, beta). External electric field (EF) effect on HOMO-LUMO gap (HLG) and dipole moment are investigated by B3LYP, LDA and GGA methods. Density of states (DOS) and HOMO, LUMO plots are also investigated by the same methodsen_US
dc.description.sponsorshipBitlis Eren University, Scientific and Technological Application and Research Center; Bitlis Eren University Research Foundation [BEBAP-2014.05]en_US
dc.description.sponsorshipThe authors greatly acknowledge the support of Bitlis Eren University, Scientific and Technological Application and Research Center.; The authors greatly appreciate Bitlis Eren University Research Foundation for financial support. Project number: BEBAP-2014.05.en_US
dc.language.isoengen_US
dc.publisherElsevier Science BVen_US
dc.relation.isversionof10.1016/j.molliq.2015.01.056en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectSchiff Baseen_US
dc.subjectDipole Momenten_US
dc.subjectSolvatochromic Shiften_US
dc.subjectElectric Fielden_US
dc.subjectDensity Of Stateen_US
dc.subjectLseren_US
dc.subjectDften_US
dc.subjectLdaen_US
dc.subjectGgaen_US
dc.titleEmerging ground and excited state dipole moments and external electric field effect on electronic structure. A solvatochromism and theoretical study on 2-((phenylimino)methyl)phenol derivativesen_US
dc.typearticleen_US
dc.relation.journalJournal of Molecular Liquidsen_US
dc.contributor.departmentAnadolu Üniversitesi, Fen Fakültesi, Fizik Bölümüen_US
dc.identifier.volume206en_US
dc.identifier.startpage56en_US
dc.identifier.endpage67en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.institutionauthorBerber, Halil


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