Structural optimization and vibrational analysis of an antidiabetic drug tolbutamide
Yazarlar (5)
Yusuf Sert Yozgat Bozok University, Türkiye
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, Türkiye
Cąʇr Çrak Erzincan Binali Yıldırım Üniversitesi, Türkiye
Buse Eskiyurt
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Erzincan Binali Yıldırım Üniversitesi, Türkiye
Mehmet Kürekçi
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 Sulfur Chemistry (Q3) | ||
| Dergi ISSN | 1741-5993 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 04-06-2015 |
| Cilt / Sayı / Sayfa | 36 / 4 / 450–461 | DOI | 10.1080/17415993.2015.1050397 |
| Makale Linki | http://www.tandfonline.com/doi/full/10.1080/17415993.2015.1050397 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| The purpose of this study is to investigate the vibrational spectrum of tolbutamide by ab initio techniques in combination with experimental studies. The Fourier transform infrared spectra (400–4000 cm−1) and Laser-Raman spectra (100–4000 cm−1) of tolbutamide have been obtained in the solid phase. Assignments have been found by the combination of the vibrational frequencies and the contribution of the potential energy distributions. Assignments have been compared with the theoretical and experimental results of similar structures as reported in the literature. Structural parameters such as bond lengths and angles, frequencies and infrared intensities and Raman activities of tolbutamide have been computed by density functional theory and Hartree–Fock methods using 6–311G++(d,p) and 6–31G(d) basis sets. The computed vibrational frequencies and optimized structural parameters are consistent with … |
| Anahtar Kelimeler |
| density functional theory | Fourier transform infrared spectra | Hartree-Fock method | Raman spectra | Tolbutamide |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 8 |
| Scopus | 8 |
| Google Scholar | 9 |