TY  - JOUR
TI  - Spectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMR
AB  - 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.
AU  - Sağlam, Adnan
AU  - Öge, Mecit
AU  - Ozdemir Oge, Tuba
AU  - Özdemir, Firdevs Banu
AU  - Keskiner, Ali Ünsal
DO  - 10.18185/erzifbed.899259
PY  - 2022
JO  - Erzincan Üniversitesi Fen Bilimleri Enstitüsü Dergisi
VL  - 15
IS  - 1
SN  - 1307-9085
SP  - 30
EP  - 45
DB  - TRDizin
UR  - http://search/yayin/detay/1067518
ER  -