Experimental and theoretical investigation of the structural and vibrational properties of 6-methoxyqinoline molecule
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Abstract (EN)
The 6-Methoxyquinoline molecule given with the molecular formula C10H9NO in this study is in the Cs point group. The FT-infrared and FT-Raman spectra of the free molecule were recorded, and the vibrational frequencies and modes of this molecule were determined. Vibrational frequencies were marked. Theoretical frequency values, geometric parameters, HOMO-LUMO analysis, electrostatic surface map, thermochemical properties, Fukui functions, nonlinear optical properties and charge analyzes were obtained with the help of Gaussian 09 computer program. The obtained values were compared with the experimental results.
Author
Merve Nurhan Güney
How to Cite
Merve Nurhan Güney (Master Thesis). Experimental and theoretical investigation of the structural and vibrational properties of 6-methoxyqinoline molecule, 2021, Gazi University.
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