Conformational and vibrational study of 4-aminohippuric acid
| dc.contributor.author | Haman Bayari, S. | |
| dc.contributor.author | Özışık, Hacı | |
| dc.contributor.author | Sağlam, Semran | |
| dc.date.accessioned | 2023-12-05T12:07:05Z | |
| dc.date.available | 2023-12-05T12:07:05Z | |
| dc.date.issued | 2010 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | The molecular vibrations of 4-aminohippuric acid (PAH) were investigated in polycrystalline sample by Fourier Transform Infrared Spectroscopy. The quantum chemical calculations based on Density Functional Theory (DFT) are used to determine the geometrical, energetic and vibrational characteristics of the molecule. Three different geometries were found to be energy minima. The conformational stability, vibrational frequencies and corresponding normal mode analysis for conformers of PAH were investigated using the 6-311++G(2d,2p) basis set by the B3LYP method. A complete assignment of the fundamentals was proposed based on the total energy distribution (TED) calculation. | |
| dc.identifier.endpage | 636 | en_US |
| dc.identifier.issue | 2 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/11332 | |
| dc.identifier.volume | 16 | en_US |
| dc.language.iso | en | |
| dc.publisher | Gazi University | |
| dc.relation.ispartof | AJP Fizika | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Conformational and Vibrational | |
| dc.title | Conformational and vibrational study of 4-aminohippuric acid | |
| dc.type | Article |
