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Experimental (X-Ray, FT-IR, and UV-Vis Spectroscopy) and Theoretical Methods (DFT Study) of N'-(Dipyridin-2-ylmethylene)-4-Methylbenzenesulfonohydrazide

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dc.authorscopusid55839963900
dc.authorscopusid56871242100
dc.authorscopusid8405708700
dc.authorscopusid8385455100
dc.authorscopusid55185195500
dc.contributor.authorAydın, E.M.
dc.contributor.authorÇınarlı, M.
dc.contributor.authorBati, H.
dc.contributor.authorÇalışkan, N.
dc.contributor.authorAtaol, Ç.Y.
dc.date.accessioned2020-06-21T13:17:46Z
dc.date.available2020-06-21T13:17:46Z
dc.date.issued2017
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Aydın] Erbil Murat, Department of Physics, Gazi Üniversitesi, Ankara, Ankara, Turkey; [Çınarlı] Murat, Central Research Laboratory, Kırşehir Ahi Evran Üniversitesi, Kirsehir, Kirsehir, Turkey; [Bati] Hümeyra, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Çalışkan] Nezihe, Department of Physics, Gazi Üniversitesi, Ankara, Ankara, Turkey; [Ataol] Çiǧdem Yüksektepe, Department of Physics, Çankiri Karatekin Üniversitesi, Cankiri, Turkeyen_US
dc.description.abstractA new hydrazone derivative was synthesized and characterized by IR, UV-Vis spectroscopy, elemental analysis and single-crystal X-ray diffraction. The compound was established to reveal antibacterial activity. The compound (C<inf>18</inf>H<inf>16</inf>N<inf>4</inf>O<inf>2</inf>S) crystallizes in monoclinic crystal system with C2/c space group. The molecular structure is stabilized by a C–HO intermolecular hydrogen bond. Quantum chemical calculations based on DFT/B3LYP/6-31G(d, p) were carried out and the results were compared with the experimental data. The calculated vibrational frequencies were used to determine the types of molecular motions associated with each of the observed experimental bands. UV-Vis absorption spectra of the compound calculated by TD-DFT have been ascribed to their corresponding molecular structure and electron transitions. © 2017, Pleiades Publishing, Inc.en_US
dc.identifier.doi10.1134/S1063774517070045
dc.identifier.endpage1127en_US
dc.identifier.issn1063-7745
dc.identifier.issue7en_US
dc.identifier.scopus2-s2.0-85042550285
dc.identifier.scopusqualityQ4
dc.identifier.startpage1122en_US
dc.identifier.urihttps://doi.org/10.1134/S1063774517070045
dc.identifier.volume62en_US
dc.identifier.wosWOS:000426251000022
dc.identifier.wosqualityQ4
dc.language.isoenen_US
dc.publisherMaik Nauka-Interperiodica Publishingen_US
dc.relation.ispartofCrystallography Reportsen_US
dc.relation.journalCrystallography Reportsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleExperimental (X-Ray, FT-IR, and UV-Vis Spectroscopy) and Theoretical Methods (DFT Study) of N'-(Dipyridin-2-ylmethylene)-4-Methylbenzenesulfonohydrazideen_US
dc.typeArticleen_US
dspace.entity.typePublication

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