Syntheses, Structures and Second-order Nonlinear Optical Behavior of (E)-N-(4-Nitrobenzylidene)-3,4-Dimethylaniline and (E)-N-(3-Nitrobenzylidene)-3,4-Dimethylaniline

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dc.contributor.authorÜnver, Hüseyin
dc.contributor.authorKarakaş, Aslı
dc.contributor.authorDurlu, Tahsin Nuri
dc.date.accessioned2020-03-26T18:05:05Z
dc.date.available2020-03-26T18:05:05Z
dc.date.issued2010
dc.departmentSelçuk Üniversitesien_US
dc.description.abstract(E)-N-(4-Nitrobenzylidene)-3,4-dimethylaniline (1) and (E)-N-(3-nitrobenzylidene)-3,4-dimethylaniline (2) have been synthesized, and their crystal structures have been determined by X-ray diffraction analysis. Linear optical characteristics have been evaluated experimentally using UV/Vis spectroscopy and theoretically using the configuration interaction (CI) method. The maximum one-photon absorption (OPA) wavelengths of the studied compounds are shorter than 450 nm, giving rise to good optical transparency in the visible and near IR regions. The ab initio quantum-mechanical calculations (finite field second-order Moller-Plesset perturbation theory) of the investigated molecules have been carried out to compute the electric dipole moment (mu) and the first hyperpolarizability (beta) values. The ab initio results suggest that the title compounds might have microscopic second-order nonlinear optical (NLO) behavior with non-zero values.en_US
dc.description.sponsorshipTurkish State of Planning Organization (DPT), TUBITAKTurkiye Bilimsel ve Teknolojik Arastirma Kurumu (TUBITAK); Selcuk UniversitySelcuk University [2003-K-12019010-7, 105T132, 2003/030]en_US
dc.description.sponsorshipThis work was supported by the Turkish State of Planning Organization (DPT), TUBITAK and Selcuk University under grant numbers 2003-K-12019010-7, 105T132, 2003/030, respectively.en_US
dc.identifier.citationÜnver, H., Karakaş, A., Durlu, T. N., (2010). Syntheses, Structures and Second-order Nonlinear Optical Behavior of (E)-N-(4-Nitrobenzylidene)-3,4-Dimethylaniline and (E)-N-(3-Nitrobenzylidene)-3,4-Dimethylaniline. Zeitschrift Fur Naturforschung Section B-A Journal of Chemical Sciences, 65(2), 185-190. DOI: 10.1515/znb-2010-0215
dc.identifier.doi10.1515/znb-2010-0215en_US
dc.identifier.endpage190en_US
dc.identifier.issn0932-0776en_US
dc.identifier.issn1865-7117en_US
dc.identifier.issue2en_US
dc.identifier.startpage185en_US
dc.identifier.urihttps://dx.doi.org/10.1515/znb-2010-0215
dc.identifier.urihttps://hdl.handle.net/20.500.12395/25296
dc.identifier.volume65en_US
dc.identifier.wosWOS:000276619200014en_US
dc.identifier.wosqualityQ4en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.institutionauthorKarakaş, Aslı
dc.language.isoenen_US
dc.publisherVerlag Z Naturforschen_US
dc.relation.ispartofZeitschrift Fur Naturforschung Section B-A Journal of Chemical Sciencesen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectX-Ray Diffractionen_US
dc.subjectUV/Vis Spectroscopyen_US
dc.subjectElectric Dipole Momenten_US
dc.subjectFirst Hyperpolarizabilityen_US
dc.subjectConfiguration Interactionen_US
dc.titleSyntheses, Structures and Second-order Nonlinear Optical Behavior of (E)-N-(4-Nitrobenzylidene)-3,4-Dimethylaniline and (E)-N-(3-Nitrobenzylidene)-3,4-Dimethylanilineen_US
dc.typeArticleen_US

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