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Crystal Structure, FT-IR, FT-Raman and DFT Studies on a Novel Compound [C10H9N3]4AgNO3

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dc.authorscopusid57095093900
dc.authorscopusid7004632268
dc.authorscopusid56479149500
dc.authorscopusid36039473500
dc.contributor.authorBilkan, M.T.
dc.contributor.authorYurdakul, Ş.
dc.contributor.authorDemircioʇlu, Z.
dc.contributor.authorBüyuk̈güngör, O.
dc.date.accessioned2020-06-21T13:34:23Z
dc.date.available2020-06-21T13:34:23Z
dc.date.issued2016
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Bilkan] Mustafa Tuğfan, Department of Physics, Gazi Üniversitesi, Ankara, Ankara, Turkey, Department of Physics, Karatekin University, Cankiri, Cankiri, Turkey; [Yurdakul] Şenay, Department of Physics, Gazi Üniversitesi, Ankara, Ankara, Turkey; [Demircioʇlu] Zeynep, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; [Büyuk̈güngör] Orhan, Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkeyen_US
dc.description.abstractA new complex of N-(pyridin-2-yl)pyridin-2-amine (NDPA) molecule, which is [C<inf>10</inf>H<inf>9</inf>N<inf>3</inf>]<inf>4</inf>AgNO<inf>3</inf>, has been synthesized for the first time and characterized by single-crystal X-ray diffraction, elemental analysis, Raman and infrared (at far and mid regions) spectroscopy. The complete vibrational frequencies, intensity of vibrational bands, optimized geometric structure, HOMO-LUMO energies, thermochemical properties and atomic charges for the compound were obtained by using density functional theory/B3LYP and LanL2DZ basis set. According to experimental results and theoretical calculations, the ligands are coordinated to the metal center in unidentate fashion. © 2016 Elsevier B.V. All rights reserved.en_US
dc.identifier.doi10.1016/j.jorganchem.2016.01.014
dc.identifier.endpage116en_US
dc.identifier.scopus2-s2.0-84957040968
dc.identifier.startpage108en_US
dc.identifier.urihttps://doi.org/10.1016/j.jorganchem.2016.01.014
dc.identifier.volume805en_US
dc.identifier.wosWOS:000369686400016
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Organometallic Chemistryen_US
dc.relation.journalJournal of Organometallic Chemistryen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectCrystal Structureen_US
dc.subjectFT-IR and FT-Raman Spectraen_US
dc.subjectHOMO-LUMO Energiesen_US
dc.subjectN-(Pyridin-2-yl)Pyridin-2-Amineen_US
dc.subjectSilver Nitrate Complexen_US
dc.titleCrystal Structure, FT-IR, FT-Raman and DFT Studies on a Novel Compound [C10H9N3]4AgNO3en_US
dc.typeArticleen_US
dspace.entity.typePublication

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