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dc.contributor.authorKargili, Hakan
dc.contributor.authorAlpaslan, Gokhan
dc.contributor.authorMacit, Mustafa
dc.contributor.authorErdonmez, Ahmet
dc.contributor.authorBüyükgüngör, Orhan
dc.date.accessioned2020-06-21T13:57:55Z
dc.date.available2020-06-21T13:57:55Z
dc.date.issued2014
dc.identifier.issn0030-400X
dc.identifier.issn1562-6911
dc.identifier.urihttps://doi.org/10.1134/S0030400X14020088
dc.identifier.urihttps://hdl.handle.net/20.500.12712/15296
dc.descriptionWOS: 000332118000003en_US
dc.description.abstractThe Schiff base (Z)-1-[(2,4-dimethoxyphenylamino)methylene]naphthalen-2(1H)-one was synthesized from the reaction of 2-hydroxy-1-naphthaldehyde with 2,4-dimethoxyaniline. The title compound has been characterized by FT-IR, UV-Vis and, X-ray single-crystal techniques. The present X-ray investigation shows that the compound exists in the keto-amine tautomeric form. Molecular geometry and vibrational frequencies of the compound in the ground state have been calculated using the density functional theory (DFT) with 6-311G(d, p) basis set and compared with the experimental data. The calculated results show that the optimized geometry is compatible with the crystal structure and the theoretical vibrational frequencies are in good agreement with the experimental values. Besides, molecular electrostatic potential (MEP), frontier molecular orbital analysis (HOMO-LUMO) and non-linear optical (NLO) properties of the compound were investigated using the same theoretical calculations.en_US
dc.language.isoengen_US
dc.publisherPleiades Publishing Incen_US
dc.relation.isversionof10.1134/S0030400X14020088en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleCrystal Structure, Spectroscopic Properties and Density Functional Theory Study of (Z)-1-[(2,4-Dimethoxyphenylamino)methylene]naphthalen-2(1H)-oneen_US
dc.typearticleen_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume116en_US
dc.identifier.issue2en_US
dc.identifier.startpage179en_US
dc.identifier.endpage186en_US
dc.relation.journalOptics and Spectroscopyen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US


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