Third-order nonlinear optical properties and crystal structures of N-(2-nitrobenzalidene)-2,4-dimethylaniline and N-(3-nitrobenzalidene)2,4-dimethylaniline

Basit Öğe Kaydı
dc.contributor.authorKarakas, Asli
dc.contributor.authorUnver, Hueseyin
dc.contributor.authorElmali, Ayhan
dc.date.accessioned2020-03-26T17:18:40Z
dc.date.available2020-03-26T17:18:40Z
dc.date.issued2007
dc.departmentSelçuk Üniversitesien_US
dc.description.abstractN-(2-nitrobenzalidene)-2,4-dimethylaniline (1) and N-(3-nitrobenzalidene)-2,4-dimethylaniline (2) have been synthesized and characterized by X-ray diffraction analysis. Linear optical characteristics have been evaluated 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. To provide an insight into the third-order nonlinear optical (NLO) behavior of the title molecules, both dispersion-free (static) and frequency-dependent (dynamic) linear polarizabilities (a) and second hyperpolarizabilities (gamma) at lambda = 825 - 1125 nm and 1050 - 1600 nm wavelength ranges have been computed using the time-dependent Hartree-Fock (TDHF) method. The ab initio computational results on (hyper)polarizabilities reveal that both compounds exhibit second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior.en_US
dc.identifier.endpage1442en_US
dc.identifier.issn0932-0776en_US
dc.identifier.issue11en_US
dc.identifier.scopusqualityQ3en_US
dc.identifier.startpage1437en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12395/21712
dc.identifier.volume62en_US
dc.identifier.wosWOS:000251402700013en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
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/closedAccessen_US
dc.selcuk20240510_oaigen_US
dc.subjectthird-order optical nonlinearityen_US
dc.subjectone-photon absorptionen_US
dc.subjectfirst hyperpolarizabilityen_US
dc.subjectsecond hyperpolarizabilityen_US
dc.subjectconfiguration interactionen_US
dc.titleThird-order nonlinear optical properties and crystal structures of N-(2-nitrobenzalidene)-2,4-dimethylaniline and N-(3-nitrobenzalidene)2,4-dimethylanilineen_US
dc.typeArticleen_US

Dosyalar

Koleksiyon

WoS İndeksli Yayınlar Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu