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dc.contributor.authorTari, Gonca Ozdemir
dc.contributor.authorCeylan, Umit
dc.contributor.authorUzun, Serap
dc.contributor.authorAgar, Erbil
dc.contributor.authorBüyükgüngör, Orhan
dc.date.accessioned2020-06-21T13:05:39Z
dc.date.available2020-06-21T13:05:39Z
dc.date.issued2018
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.04.005
dc.identifier.urihttps://hdl.handle.net/20.500.12712/11235
dc.description3rd International Turkish Congress on Molecular Spectroscopy (TURCMOS) -- AUG 26-29, 2017 -- Bodrum, TURKEYen_US
dc.descriptionozdemir tari, gonca/0000-0001-5919-1778en_US
dc.descriptionWOS: 000449132500005en_US
dc.description.abstractA new Schiff base, (E)-2-chloro-N-((4-nitrocyclopenta-1,3-dienyl)methylene)benzenamine, C11H7ClN2O2S has been synthesized and structurally characterized by spectroscopy methods. The computational calculations were done at HF and DFT/B3LYP/B3PW91 and PBEPBE levels with 6 -311++G(d,p) basis set. The FT-IR and UV-Vis spectra have been calculated theoretically using the same methods and are compared with the experimental spectra. These comparisons indicated that the calculated results are in agreement with the experimental data. In addition, electronic and optical properties of the title compound are investigated based on theoretical calculations. (C) 2018 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipGiresun UniversityGiresun University [BAP-A-140316-57]en_US
dc.description.sponsorshipThis study was supported by Giresun University Scientific Research Projects through project BAP-A-140316-57. The authors are grateful to Dr. Nuri Ozturk and Dr. Halim Buyukuslu for contribution.en_US
dc.language.isoengen_US
dc.publisherElsevier Science Bven_US
dc.relation.isversionof10.1016/j.molstruc.2018.04.005en_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectX-ray diffractionen_US
dc.subjectSchiff baseen_US
dc.subjectFr-IR and UV-Vis spectral analysisen_US
dc.titleSynthesis, spectroscopic (FT-IR, UV-Vis), experimental (X-Ray) and theoretical (HF/DFT) study of: (E)-2-Chloro-N-((4-nitrocyclopenta-1,3-dienyl)methylene)benzenamineen_US
dc.typeconferenceObjecten_US
dc.contributor.departmentOMÜen_US
dc.identifier.volume1174en_US
dc.identifier.startpage18en_US
dc.identifier.endpage24en_US
dc.relation.journalJournal of Molecular Structureen_US
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanıen_US


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