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

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dc.authorid15923en_US
dc.authorid20465en_US
dc.authorid57380en_US
dc.contributor.authorÖzdemir, Firdevs Banu
dc.contributor.authorÖzdemir Öge, Tuba
dc.contributor.authorSağlam, Adnan
dc.contributor.authorÖge, Mecit
dc.contributor.authorKeskiner, Ali Ünsal
dc.date.accessioned2023-02-10T11:57:30Z
dc.date.available2023-02-10T11:57:30Z
dc.date.issued2022
dc.departmentİstanbul Beykent Üniversitesien_US
dc.description.abstractGeometric 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.en_US
dc.identifier.doi10.18185/erzifbed.899259
dc.identifier.issn1300-9044
dc.identifier.trdizinid1067518en_US
dc.identifier.urihttps://search.trdizin.gov.tr/yayin/detay/1067518
dc.identifier.urihttps://doi.org/10.18185/erzifbed.899259
dc.indekslendigikaynakTR-Dizinen_US
dc.language.isoenen_US
dc.publisherErzincan Üniversitesien_US
dc.relation.publicationcategoryMakale - Ulusal Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.subjectPioglitazoneen_US
dc.subjectFTIRen_US
dc.subjectLaser-Ramanen_US
dc.subjectProton and Carbon-13 NMR chemical shiftsen_US
dc.subjectDFT/B3LYPen_US
dc.titleSpectroscopic and Theoretical Investigation of Pioglitazone with FT-IR, Raman, UV-Vis. and NMRen_US
dc.typeArticleen_US

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