| dc.contributor.author | Sarikaya, E. Karakas | |
| dc.contributor.author | Dereli, O. | |
| dc.contributor.author | Erdogdu, Y. | |
| dc.contributor.author | Gulluoglu, M. T. | |
| dc.date.accessioned | 2019-11-24T20:37:10Z | |
| dc.date.available | 2019-11-24T20:37:10Z | |
| dc.date.issued | 2013 | |
| dc.identifier.issn | 0022-2860 | |
| dc.identifier.issn | 1872-8014 | |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2013.06.026 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12513/2309 | |
| dc.description | WOS: 000324784700026 | en_US |
| dc.description.abstract | In the present study, as a result of detailed conformational search of the 7-Ethoxycoumarin, four different conformers of (7EC) have been obtained. The FT-IR and Raman spectra of 7EC were recorded in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. Vibrational frequences of the title compound were calculated by B3LYP method using 6-311++G(d,p) basis sets. The calculated vibrational frequences were analyzed and compared with experimental results. Characteristic vibrational bands of the pyrone ring, methylene and CO groups have been identified. (c) 2013 Elsevier B.V. All rights reserved. | en_US |
| dc.description.sponsorship | BAP, Konya Necmettin Erbakan University (Konya)Necmettin Erbakan University [121210001] | en_US |
| dc.description.sponsorship | This work was financially supported by the BAP, Konya Necmettin Erbakan University (Konya) (Project Number: 121210001). The authors would like to convey thanks to METU Central Laboratory for providing laboratory facilities. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | ELSEVIER SCIENCE BV | en_US |
| dc.relation.isversionof | 10.1016/j.molstruc.2013.06.026 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | 7-Ethoxycoumarin | en_US |
| dc.subject | Molecular structure | en_US |
| dc.subject | FT-IR | en_US |
| dc.subject | FT-Raman | en_US |
| dc.subject | DFT | en_US |
| dc.subject | Vibrational spectra | en_US |
| dc.title | Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method | en_US |
| dc.type | article | en_US |
| dc.relation.journal | JOURNAL OF MOLECULAR STRUCTURE | en_US |
| dc.contributor.department | Kırşehir Ahi Evran Üniversitesi, Fen-Edebiyat Fakültesi, Fizik Bölümü | en_US |
| dc.identifier.volume | 1049 | en_US |
| dc.identifier.startpage | 220 | en_US |
| dc.identifier.endpage | 226 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
