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Year 2019, Volume: 2 Issue: 2, 73 - 76, 16.12.2019

İsrafil Şen , Hanifi Kebiroglu , Bayram Gündüz

Abstract

References

  • https://www.sigmaaldrich.com/catalog/product/aldrich/634530?lang=en&region=TR.
  • Tanakaa, A. Araia, Y. Kimb, Su-Nam. Hamb, J. Usukia, T. Synthesis and biological evaluation of bilobol and adipostatin A. Journal of Asian Natural Products Research. Vol. 13, No. 4, April 2011, 290–296.

Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule

Year 2019, Volume: 2 Issue: 2, 73 - 76, 16.12.2019

İsrafil Şen , Hanifi Kebiroglu , Bayram Gündüz

Abstract

In this thesis, the optimization of 5-Bromo-1,2,3-Trımethoxybenzene molecule was done by using the DFT method. After optimization, with the same basis set we have calculated Nuclear Magnetic Resonances (NMR) Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) of the molecules that considered in this thesis. The 5-Bromo-1, 2, 3-Trımethoxybenzene compound which is considered here in this thesis was studied at B3LYP/6-311G (d) level. Fourier Transform Infrared (FTIR) calculations also have been done and our results were compared with the available data in literature.

Keywords

Optimization NMR HOMO LUMO DFT

References

  • https://www.sigmaaldrich.com/catalog/product/aldrich/634530?lang=en&region=TR.
  • Tanakaa, A. Araia, Y. Kimb, Su-Nam. Hamb, J. Usukia, T. Synthesis and biological evaluation of bilobol and adipostatin A. Journal of Asian Natural Products Research. Vol. 13, No. 4, April 2011, 290–296.
There are 2 citations in total.

Details

Primary Language English
Subjects Metrology, Applied and Industrial Physics
Journal Section Articles
Authors

İsrafil Şen 0000-0002-6176-5774

Hanifi Kebiroglu

Bayram Gündüz

Publication Date December 16, 2019
Submission Date November 27, 2019
Acceptance Date December 9, 2019
Published in Issue Year 2019 Volume: 2 Issue: 2

Cite

APA Şen, İ., Kebiroglu, H., & Gündüz, B. (2019). Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule. Journal of Physical Chemistry and Functional Materials, 2(2), 73-76.
AMA Şen İ, Kebiroglu H, Gündüz B. Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule. Journal of Physical Chemistry and Functional Materials. December 2019;2(2):73-76.
Chicago Şen, İsrafil, Hanifi Kebiroglu, and Bayram Gündüz. “Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule”. Journal of Physical Chemistry and Functional Materials 2, no. 2 (December 2019): 73-76.
EndNote Şen İ, Kebiroglu H, Gündüz B (December 1, 2019) Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule. Journal of Physical Chemistry and Functional Materials 2 2 73–76.
IEEE İ. Şen, H. Kebiroglu, and B. Gündüz, “Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule”, Journal of Physical Chemistry and Functional Materials, vol. 2, no. 2, pp. 73–76, 2019.
ISNAD Şen, İsrafil et al. “Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule”. Journal of Physical Chemistry and Functional Materials 2/2 (December 2019), 73-76.
JAMA Şen İ, Kebiroglu H, Gündüz B. Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule. Journal of Physical Chemistry and Functional Materials. 2019;2:73–76.
MLA Şen, İsrafil et al. “Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule”. Journal of Physical Chemistry and Functional Materials, vol. 2, no. 2, 2019, pp. 73-76.
Vancouver Şen İ, Kebiroglu H, Gündüz B. Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule. Journal of Physical Chemistry and Functional Materials. 2019;2(2):73-6.