Experimental and computational study on molecular structure andvibrational analysis of an antihyperglycemic biomolecule Gliclazide
Yazarlar (5)
Prof. Dr. Mustafa KARAKAYA Sinop Üniversitesi, 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
Prof. Dr. Yusuf Sert Bozok Üniversitesi, Türkiye
Prof. Dr. Çağrı Çırak Erzincan Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-01-2015 |
| Cilt / Sayı / Sayfa | 135 / 1 / 137–146 | DOI | 10.1016/j.saa.2014.06.152 |
| Makale Linki | http://www.sciencedirect.com/science/article/pii/S1386142514010518 | ||
| UAK Araştırma Alanları |
Atom, Molekül ve Lazer Fiziği
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| Özet |
| In present study, the experimental and theoretical harmonic vibrational frequencies of gliclazide molecule have been investigated. The experimental FT-IR (400–4000 cm−1) and Laser-Raman spectra (100–4000 cm−1) of the molecule in the solid phase were recorded. Theoretical vibrational frequencies and geometric parameters (bond lengths and bond angles) have been calculated using ab initio Hartree Fock (HF), density functional theory (B3LYP hybrid function) methods with 6-311++G(d,p) and 6-31G(d,p) basis sets by Gaussian 09W program. The assignments of the vibrational frequencies were performed by potential energy distribution (PED) analysis by using VEDA 4 program. Theoretical optimized geometric parameters and vibrational frequencies have been compared with the corresponding experimental data, and they have been shown to be in a good agreement with each other. Also, the highest … |
| Anahtar Kelimeler |
| Density functional theory | FT-IR spectra | Gliclazide | Hartree-Fock | Laser-Raman spectra |
Science Direct
Experimental and computational study on molecular structure andvibrational analysis of an antihyperglycemic biomolecule Gliclazide
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 16 |
| Scopus | 16 |
| Google Scholar | 19 |