Russian Journal of Physical Chemistry A

, Volume 91, Issue 13, pp 2608–2612 | Cite as

Experimental and Theoretical Vibrational Spectra of Sideridiol Isolated from Sideritis Species

  • Turgut Kilic
  • Züleyha Ozer Sagir
  • Sema Carikci
  • Akın Azizoğlu
Structure of Matter and Quantum Chemistry


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.


terpenoids IR spectrum DFT ab initio 


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    I. Aslan, T. Kılıç, A. C. Gören, and G. Topçu, Ind. Crops Products 23, 171 (2006).CrossRefGoogle Scholar
  2. 2.
    E. González-Burgos, M. E. Carretero, and M. P. Gomez-Serranillos, J. Ethnopharmacol. 135, 209 (2011).CrossRefGoogle Scholar
  3. 3.
    A. Güvenc, Y. Okada, E. Küpeli Akkol, H. Duman, T. Okuyama, and I. Çalıs, Food Chem. 118, 686 (2010).CrossRefGoogle Scholar
  4. 4.
    M. L. Bondi, M. Bruno, F. Piozzi, K. H. C. Baser, and M. S. J. Simmonds, Biochem. System. Ecol. 28, 299 (2000).CrossRefGoogle Scholar
  5. 5.
    G. Topcu, A. Ertas, M. Oztürk, D. Dincel, T. Kilic, and B. Halfon, Phyto. Chem. 4, 436 (2011).Google Scholar
  6. 6.
    T. Kilic, Molecules 11, 257 (2006).CrossRefGoogle Scholar
  7. 7.
    X. Chen, M. Li, Z. Yu, et al., Russ. J. Phys. Chem. A 90, 2413 (2016).CrossRefGoogle Scholar
  8. 8.
    S. Markovic, J. Durdevic, S. Jeremic, and I. Gutman, J. Serb. Chem. Soc. 75, 1241 (2010).CrossRefGoogle Scholar
  9. 9.
    A. S. Beni, M. Aazari, A. N. Chermahini, and M. Zarandi, Russ. J. Phys. Chem. A 90, 1859 (2016).CrossRefGoogle Scholar
  10. 10.
    F. D. Proft and P. Geerlings, Chem. Rev. 101, 1451 (2001).CrossRefGoogle Scholar
  11. 11.
    C. Tablet, L. Dumitrache, L. Minea, and M. Hillebrand, Rev. Roum. Chim. 57, 665 (2012).Google Scholar
  12. 12.
    B. M. Fraga, Phytochemistry 76, 7 (2012).CrossRefGoogle Scholar
  13. 13.
    G. Topçu, A. Gören, T. Kiliç, Y. K. Yildiz, and G. Tümen, Natural Product Lett. 16, 33 (2002).CrossRefGoogle Scholar
  14. 14.
    G. Topçu, A. Gören, T. Kiliç, Y. K. Yildiz, and G. Tümen, Fitoterapia 72, 1 (2001).CrossRefGoogle Scholar
  15. 15.
    B. M. Fraga, M. G. Hernandez, J. M. H. Santana, and J. M. Artega, Phytochemistry 30, 9 (1991).CrossRefGoogle Scholar
  16. 16.
    P. Venturella, A. Bellino, and M. L. Marino, Phytochemistry 17, 811 (1978).CrossRefGoogle Scholar
  17. 17.
    M. J. Frisch et al., Gaussian 09, Revision A02 (Gaussian Inc., Pittsburgh, PA, 2009).Google Scholar
  18. 18.
    W. J. Hehre, L. Radom, P. V. R. Schleyer, and J. A. Pople, Ab initio Molecular Orbital Theory (Wiley, New York, 1986).Google Scholar
  19. 19.
    A. Azizoglu, Z. Ozer, and T. Kiliç, Collect. Czech. Chem. Commun. 76, 95 (2011).CrossRefGoogle Scholar
  20. 20.
    S. Citak, Z. Ozer Sagir, S. Carikci, T. Kiliç, and A. Azizoglu, Rev. Roum. Chim. 59, 227 (2014).Google Scholar
  21. 21.
    I. Fleming, Frontier Orbitals and Organic Chemical Reactions (Wiley, London, 1976).Google Scholar
  22. 22.
    L. Gaina, I. Torje, E. Gal, A. Lupan, C. Bischin, R. Silaghi-Dumitrescu, G. Damian, P. Lonnecke, C. Cristea, and L. Silaghi-Dumitrescu, Dyes Pigm. 102, 315 (2014).CrossRefGoogle Scholar
  23. 23.
    V. Bucila, M. Stefu, and B. Szefler, Studia UBB Chem. 58, 101 (2013).Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2017

Authors and Affiliations

  • Turgut Kilic
    • 1
  • Züleyha Ozer Sagir
    • 2
  • Sema Carikci
    • 3
  • Akın Azizoğlu
    • 3
  1. 1.Department of Science Educations, Faculty of Necatibey EducationUniversity of BalikesirBalikesirTurkey
  2. 2.Altinoluk Vocational SchoolUniversity of BalikesirEdremit, BalikesirTurkey
  3. 3.Department of Chemistry, Faculty of Arts and SciencesUniversity of BalikesirBalikesirTurkey

Personalised recommendations