Investigation of spectroscopic and electronic properties of 5-Bromo-1,2,3-Trimethoxybenzene molecule
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Abstract (EN)
In this thesis, the optimization of 5-Bromo-1,2,3-Trımethoxybenzene molecule was done by using the Hartree-Fock (HF) method. After optimization, with the same basis set we have calculated Nuclear Magnetic Rezonances (NMR) , Highest Occopied Molecular Orbital (HOMO) and Lowest Unoccopied Molecular Orbital (LUMO) of the molecules that considered in this thesis. The 5-Bromo-1,2,3-Trimethoxybenzene compound which is considerwed here in this thesis was studied with 6-31G(d) basis set. Fourier Transform Infrared (FTIR) calculations also have been done and our results were compared with the available data in literature.
Author
İsrafil Şen
Institution
How to Cite
İsrafil Şen (Master Thesis). Investigation of spectroscopic and electronic properties of 5-Bromo-1,2,3-Trimethoxybenzene molecule, 2020, Fırat University.
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