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CONFORMATION DEPENDENT VIBRATIONAL MODES IN 2-(2-HYDROXYPHENYL) BENZOTHIAZOLE MOLECULE
Journal: IMPACT : International Journal of Research in Applied, Natural and Social Sciences ( IMPACT : IJRANSS ) (Vol.2, No. 4)Publication Date: 2014-04-30
Authors : URMILA PANDEY; R. P. SINGH; R. A. YADAV;
Page : 179-184
Keywords : Conformational Study; Vibrational Study; 2-(2-Hydroxyphenyl) Benzothiazole;
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Abstract
Optimized structures for all the four possible conformers of 2-(2-hydroxyphenyl) benzothiazole have been computed using the DFT method at the B3LYP/6-311++G** level. With these optimized structures vibrational parameters have also been computed. Comparative studies of conformer dependent vibrational fundamentals have been carried out.
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Last modified: 2014-04-25 22:34:31