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.
Optimization, NMR, HOMO, LUMO, DFT
Birincil Dil | İngilizce |
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Konular | Fizik, Uygulamalı |
Bölüm | Makaleler |
Yazarlar |
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Yayımlanma Tarihi | 16 Aralık 2019 |
Gönderilme Tarihi | 27 Kasım 2019 |
Kabul Tarihi | 9 Aralık 2019 |
Yayınlandığı Sayı | Yıl 2019, Cilt 2, Sayı 2 |
Bibtex | @araştırma makalesi { jphcfum651445, journal = {Journal of Physical Chemistry and Functional Materials}, issn = {2651-3080}, eissn = {2651-3080}, address = {}, publisher = {Niyazi BULUT}, year = {2019}, volume = {2}, number = {2}, pages = {73 - 76}, title = {Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule}, key = {cite}, author = {Şen, İsrafil and Kebiroglu, Hanifi and Gündüz, Bayram} } |
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 . Retrieved from https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/651445 |
MLA | 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 2 (2019 ): 73-76 <https://dergipark.org.tr/tr/pub/jphcfum/issue/50562/651445> |
Chicago | 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 2 (2019 ): 73-76 |
RIS | TY - JOUR T1 - Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule AU - İsrafilŞen, HanifiKebiroglu, BayramGündüz Y1 - 2019 PY - 2019 N1 - DO - T2 - Journal of Physical Chemistry and Functional Materials JF - Journal JO - JOR SP - 73 EP - 76 VL - 2 IS - 2 SN - 2651-3080-2651-3080 M3 - UR - Y2 - 2019 ER - |
EndNote | %0 Journal of Physical Chemistry and Functional Materials Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule %A İsrafil Şen , Hanifi Kebiroglu , Bayram Gündüz %T Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule %D 2019 %J Journal of Physical Chemistry and Functional Materials %P 2651-3080-2651-3080 %V 2 %N 2 %R %U |
ISNAD | Şen, İsrafil , Kebiroglu, Hanifi , Gündüz, Bayram . "Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule". Journal of Physical Chemistry and Functional Materials 2 / 2 (Aralık 2019): 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. 2019; 2(2): 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): 73-76. |
IEEE | İ. Şen , H. Kebiroglu ve B. Gündüz , "Investigation of Spectroscopic and Electronic Properties of 5-Bromo-1,2,3-Trimethoxybenzene Molecule", Journal of Physical Chemistry and Functional Materials, c. 2, sayı. 2, ss. 73-76, Ara. 2019 |