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

İsrafil ŞEN; Hanifi KEBİROGLU; Bayram GÜNDÜZ

Makale detayları

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

Yazarlar:

İsrafil ŞEN | Hanifi KEBİROGLU | Bayram GÜNDÜZ

Yayıncı:

Niyazi BULUT

Ana Başlıklar:

Fizik

Dergi:

Journal of Physical Chemistry and Functional Materials 2019 Vol.2 Issue 2, pp.73-76

Belge Tipi:

Makale

Yayın Tarihi:

12/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000492776

Sıklık:

İki Yıllık

eISSN:

2651-3080

pISSN:

2651-3080

Özet:

 

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.

Makale detayları

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

Yazarlar: İsrafil ŞEN | Hanifi KEBİROGLU | Bayram GÜNDÜZ

Yayıncı: Niyazi BULUT

Ana Başlıklar: Fizik

Dergi: Journal of Physical Chemistry and Functional Materials 2019 Vol.2 Issue 2, pp.73-76

Belge Tipi: Makale

Yayın Tarihi: 12/2019

Belge Dili: İngilizce

Document ID (Org No.): 2000492776

Sıklık: İki Yıllık

eISSN: 2651-3080

pISSN: 2651-3080

Sayı

Yazarlar:

İsrafil ŞEN | Hanifi KEBİROGLU | Bayram GÜNDÜZ

Yayıncı:

Niyazi BULUT

Ana Başlıklar:

Fizik

Dergi:

Journal of Physical Chemistry and Functional Materials 2019 Vol.2 Issue 2, pp.73-76

Belge Tipi:

Makale

Yayın Tarihi:

12/2019

Belge Dili:

İngilizce

Document ID (Org No.):

2000492776

Sıklık:

İki Yıllık

eISSN:

2651-3080

pISSN:

2651-3080