Yıl: 2022 Cilt: 15 Sayı: 1 Sayfa Aralığı: 30 - 45 Metin Dili: İngilizce DOI: 10.18185/erzifbed.899259 İndeks Tarihi: 09-08-2022

Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR

Öz:
Geometric structures, bond lengths, bond angles, vibrational frequencies, dipole moments, proton and carbon-13 NMR isotropic chemical shifts, UV-Vis. Parameters, HOMO and LUMO energies of pioglitazone molecules were studied using Gaussian09 program with DFT/B3LYP method at the 6-311G++(2d,2p) basis set. The assignments of theoretical vibrational modes were obtained using VEDA 4 software in terms of potential energy distribution (PED). The spectroscopic characterizations of pioglitazone molecule were performed using FT-IR, Laser-Raman, and NMR chemical shift and UV-vis. experimental methods. Theoretically obtained geometric parameters, vibrational wavenumbers and NMR chemical shifts will also be compared with the experimental results.
Anahtar Kelime: Proton and Carbon-13 NMR chemical shifts Laser-Raman DFT/B3LYP FTIR Pioglitazone

Pioglitazon Molekülünün Spektroskopik Özelliklerinin FT-IR, Raman, UV-Vis ve NMR Yöntemleri ile Teorik ve Deneysel Olarak İncelenmesi

Öz:
Bu çalışmada pioglitazon molekülünün geometrik yapıları, bağ uzunlukları, bağ açıları, titreşim frekansları, dipol momentleri, proton ve karbon-13 NMR izotropik kimyasal kaymaları, UV-Vis. Parametreleri ile HOMO ve LUMO enerjileri Gaussian09 programı ve DFT/B3LYP yöntemi kullanılarak 6-311G++(2d,2p) temel setinde incelenmiştir. Teorik titreşim modlarının potansiyel enerji dağılımı (PED) üzerinden belirlenmesi VEDA 4 yazılımı ile gerçekleştirilmiştir. Pioglitazon molekülünün spektroskopik karakterizasyonu FT-IR, Lazer-Raman ve NMR kimyasal kayma ve UV-vis deneysel yöntemleri ile gerçekleştirilmiştir. Teorik olarak elde edilen geometrik parametreler, titreşimsel dalgaboyları ve NMR kimyasal kayma değerleri de aynı zamanda deneysel sonuçlarla karşılaştırılmıştır.
Anahtar Kelime:

Belge Türü: Makale Makale Türü: Araştırma Makalesi Erişim Türü: Erişime Açık
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APA Ozdemir Oge T, Sağlam A, Özdemir F, Keskiner A, Öge M (2022). Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. , 30 - 45. 10.18185/erzifbed.899259
Chicago Ozdemir Oge Tuba,Sağlam Adnan,Özdemir Firdevs Banu,Keskiner Ali Ünsal,Öge Mecit Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. (2022): 30 - 45. 10.18185/erzifbed.899259
MLA Ozdemir Oge Tuba,Sağlam Adnan,Özdemir Firdevs Banu,Keskiner Ali Ünsal,Öge Mecit Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. , 2022, ss.30 - 45. 10.18185/erzifbed.899259
AMA Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. . 2022; 30 - 45. 10.18185/erzifbed.899259
Vancouver Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. . 2022; 30 - 45. 10.18185/erzifbed.899259
IEEE Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M "Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR." , ss.30 - 45, 2022. 10.18185/erzifbed.899259
ISNAD Ozdemir Oge, Tuba vd. "Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR". (2022), 30-45. https://doi.org/10.18185/erzifbed.899259
APA Ozdemir Oge T, Sağlam A, Özdemir F, Keskiner A, Öge M (2022). Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 15(1), 30 - 45. 10.18185/erzifbed.899259
Chicago Ozdemir Oge Tuba,Sağlam Adnan,Özdemir Firdevs Banu,Keskiner Ali Ünsal,Öge Mecit Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi 15, no.1 (2022): 30 - 45. 10.18185/erzifbed.899259
MLA Ozdemir Oge Tuba,Sağlam Adnan,Özdemir Firdevs Banu,Keskiner Ali Ünsal,Öge Mecit Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi, vol.15, no.1, 2022, ss.30 - 45. 10.18185/erzifbed.899259
AMA Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi. 2022; 15(1): 30 - 45. 10.18185/erzifbed.899259
Vancouver Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR. Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi. 2022; 15(1): 30 - 45. 10.18185/erzifbed.899259
IEEE Ozdemir Oge T,Sağlam A,Özdemir F,Keskiner A,Öge M "Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR." Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 15, ss.30 - 45, 2022. 10.18185/erzifbed.899259
ISNAD Ozdemir Oge, Tuba vd. "Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR". Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi 15/1 (2022), 30-45. https://doi.org/10.18185/erzifbed.899259