Theoretical and experimental investigations on vibrational and structural properties of tolazamide
Yazarlar (5)
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, Türkiye
Yusuf Sert Yozgat Bozok University, Türkiye
Mehmet Kürekçi
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Buse Eskiyurt
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Çaʇri Çirak
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Erzincan Binali Yıldırım Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure (Q3) | ||
| Dergi ISSN | 0022-2860 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 04-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-09-2015 |
| Cilt / Sayı / Sayfa | 1095 / 1 / 87–95 | DOI | 10.1016/j.molstruc.2015.04.028 |
| Makale Linki | http://www.sciencedirect.com/science/article/pii/S0022286015003580 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| In this paper, vibrational spectra of tolazamide have been investigated by ab initio techniques in combination with experimental studies. Data on the FT-IR spectra (400–4000 cm−1) and Laser-Raman spectra (100–4000 cm−1) of tolazamide have been obtained in the solid phase. Assignments corresponding to the vibrational frequencies have been found and interpreted by the contribution of the potential energy distributions. The theoretical results are compared X-ray experimental data for this. Structural parameters such as bond lengths and angles, frequencies and intensities regarding Raman and IR spectra of the compound have been computed by density functional theory and Hartree–Fock methods with 6-311G++(d,p) and 6-31G(d) basis sets. They have been observed that the computed vibrational frequencies and optimized structural parameters are consistent with the corresponding experimental results. In … |
| Anahtar Kelimeler |
| Density functional theory | FT-IR spectra | Hartree-Fock method | Raman spectra | Tolazamide |
Science Direct
Theoretical and experimental investigations on vibrational and structural properties of tolazamide
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 10 |
| Scopus | 9 |
| Google Scholar | 13 |