dc.contributor.author | Tari, Gonca Ozdemir | |
dc.contributor.author | Ceylan, Umit | |
dc.contributor.author | Uzun, Serap | |
dc.contributor.author | Agar, Erbil | |
dc.contributor.author | Büyükgüngör, Orhan | |
dc.date.accessioned | 2020-06-21T13:05:39Z | |
dc.date.available | 2020-06-21T13:05:39Z | |
dc.date.issued | 2018 | |
dc.identifier.issn | 0022-2860 | |
dc.identifier.issn | 1872-8014 | |
dc.identifier.uri | https://doi.org/10.1016/j.molstruc.2018.04.005 | |
dc.identifier.uri | https://hdl.handle.net/20.500.12712/11235 | |
dc.description | 3rd International Turkish Congress on Molecular Spectroscopy (TURCMOS) -- AUG 26-29, 2017 -- Bodrum, TURKEY | en_US |
dc.description | ozdemir tari, gonca/0000-0001-5919-1778 | en_US |
dc.description | WOS: 000449132500005 | en_US |
dc.description.abstract | A 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.sponsorship | Giresun UniversityGiresun University [BAP-A-140316-57] | en_US |
dc.description.sponsorship | This 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.iso | eng | en_US |
dc.publisher | Elsevier Science Bv | en_US |
dc.relation.isversionof | 10.1016/j.molstruc.2018.04.005 | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | X-ray diffraction | en_US |
dc.subject | Schiff base | en_US |
dc.subject | Fr-IR and UV-Vis spectral analysis | en_US |
dc.title | Synthesis, spectroscopic (FT-IR, UV-Vis), experimental (X-Ray) and theoretical (HF/DFT) study of: (E)-2-Chloro-N-((4-nitrocyclopenta-1,3-dienyl)methylene)benzenamine | en_US |
dc.type | conferenceObject | en_US |
dc.contributor.department | OMÜ | en_US |
dc.identifier.volume | 1174 | en_US |
dc.identifier.startpage | 18 | en_US |
dc.identifier.endpage | 24 | en_US |
dc.relation.journal | Journal of Molecular Structure | en_US |
dc.relation.publicationcategory | Konferans Öğesi - Uluslararası - Kurum Öğretim Elemanı | en_US |