| dc.contributor.author | Alver, Özgür | |
| dc.contributor.author | Parlak, Cemal | |
| dc.date.accessioned | 2019-10-19T11:17:30Z | |
| dc.date.available | 2019-10-19T11:17:30Z | |
| dc.date.issued | 2010 | |
| dc.identifier.issn | 0022-2860 | |
| dc.identifier.uri | https://dx.doi.org/10.1016/j.molstruc.2010.03.090 | |
| dc.identifier.uri | https://hdl.handle.net/11421/11714 | |
| dc.description | WOS: 000280028600014 | en_US |
| dc.description.abstract | The possible stable conformers of 1-cyclohexylpiperazine (1-chpp) molecule were experimentally and theoretically studied by FT-IR and Raman spectroscopy in the region of 4000-200 cm(-1). The optimized geometric structures concerning to the minimum on the potential energy surface were investigated by B3LYP hybrid density functional theory method together with 6-31G(d) basis set. Comparison between the experimental and theoretical results indicates that density functional B3LYP method is able to provide satisfactory results for predicting vibrational wavenumbers and equatorial-equatorial (e-e) form is supposed to be the most stable form of 1-chpp molecule | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Elsevier Science BV | en_US |
| dc.relation.isversionof | 10.1016/j.molstruc.2010.03.090 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | 1-Cyclohexylpiperazine | en_US |
| dc.subject | Vibrational Spectra | en_US |
| dc.subject | Conformational Analysis | en_US |
| dc.subject | Dft | en_US |
| dc.title | Vibrational spectroscopic investigation and conformational analysis of 1-cyclohexylpiperazine | en_US |
| dc.type | article | en_US |
| dc.relation.journal | Journal of Molecular Structure | en_US |
| dc.contributor.department | Anadolu Üniversitesi, Bitki, İlaç ve Bilimsel Araştırmalar Merkezi | en_US |
| dc.identifier.volume | 975 | en_US |
| dc.identifier.issue | 1.Mar | en_US |
| dc.identifier.startpage | 85 | en_US |
| dc.identifier.endpage | 92 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.contributor.institutionauthor | Alver, Özgür | |
