Experimental and Theoretical Vibrational Spectra of Sideridiol Isolated from Sideritis Species
- Authors: Kilic T.1, Sagir Z.O.2, Carikci S.3, Azizoğlu A.3
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Affiliations:
- Department of Science Educations, Faculty of Necatibey Education
- Altinoluk Vocational School
- Department of Chemistry, Faculty of Arts and Sciences
- Issue: Vol 91, No 13 (2017)
- Pages: 2608-2612
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/169835
- DOI: https://doi.org/10.1134/S0036024417130210
- ID: 169835
Cite item
Abstract
Sideridiol (ent-7α,18β-dihydroxykaur-15-ene) one of the ent-kaurene diterpenoid, is isolated from the genus Sideritis L. belongs to the family of Lamiaceae. The vibrational frequencies of sideridiol in the ground state have been calculated using the Density Functional Theory (DFT) method with the 6-31G(d) and 6 31+G(d,p) basis sets. The calculated vibrational frequencies have been compared with that of obtained experimental IR spectrum.
Keywords
About the authors
Turgut Kilic
Department of Science Educations, Faculty of Necatibey Education
Author for correspondence.
Email: tkilic@balikesir.edu.tr
Turkey, Balikesir, TR-10100
Züleyha Ozer Sagir
Altinoluk Vocational School
Email: tkilic@balikesir.edu.tr
Turkey, Edremit, Balikesir, TR-10870
Sema Carikci
Department of Chemistry, Faculty of Arts and Sciences
Email: tkilic@balikesir.edu.tr
Turkey, Balikesir, TR-10145
Akın Azizoğlu
Department of Chemistry, Faculty of Arts and Sciences
Email: tkilic@balikesir.edu.tr
Turkey, Balikesir, TR-10145