| dc.contributor.author | Dereli, O. | |
| dc.contributor.author | Erdogdu, Y. | |
| dc.contributor.author | Gulluoglu, M. T. | |
| dc.date.accessioned | 2019-11-24T20:37:17Z | |
| dc.date.available | 2019-11-24T20:37:17Z | |
| dc.date.issued | 2012 | |
| dc.identifier.issn | 0022-2860 | |
| dc.identifier.issn | 1872-8014 | |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2011.12.040 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12513/2331 | |
| dc.description | WOS: 000301606300014 | en_US |
| dc.description.abstract | In the present study, an exhaustive conformational search of the (triphenylphosphoranylidene) acetaldehyde has been performed. The FT-IR spectrum of this compound was recorded in the region 4000-400 cm(-1). The FT-Raman spectrum was also recorded in the region 3500-50 cm(-1). Vibrational frequencies of the title compound have been calculated by B3LYP method using 6-311++G(d,p) basis sets. The calculated geometric parameters and vibrational frequencies were analyzed and compared with obtained experimental results. (C) 2012 Elsevier B.V. All rights reserved. | en_US |
| dc.description.sponsorship | BAP, Selcuk University in TurkeySelcuk University [11401012] | en_US |
| dc.description.sponsorship | This work was financially supported by the BAP (Project Number: 11401012), Selcuk University in Turkey. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | ELSEVIER | en_US |
| dc.relation.isversionof | 10.1016/j.molstruc.2011.12.040 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | (Triphenylphosphoranylidene) acetaldehyde | 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.subject | PED | en_US |
| dc.title | Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach | 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 | 1012 | en_US |
| dc.identifier.startpage | 105 | en_US |
| dc.identifier.endpage | 112 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
