S Sakiladevi

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3-Acetylcoumarin (3AC) was synthesised by a Knoevenagel reaction. Conformational analysis using the B3LYP method was also carried out to determine the most stable conformation of the compound. FTIR and FT-Raman spectra of 3AC have been recorded in the range 4000-400 and 4000-100 cm(-1), respectively. (1)H and (13)C NMR spectra have also been recorded. The(More)
The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p),(More)
Experimental FTIR, FT-Raman and FT-NMR spectroscopic studies of o-fluoronitrobenzene and p-fluoronitrobenzene have been carried out. A detailed quantum chemical calculations have been performed using DFT/B3LYP method with 6-311++G** and 6-31G** basis sets. Complete vibrational analyses of the compounds were performed. The temperature dependence of(More)
N-(2,4-Dimethylphenyl)-2,2-dichloroacetamide (24DMPA) and N-(3,5-dimethylphenyl)-2,2-dichloroacetamide (35DMPA) of the configuration X(y)C(6)H(5-y)NHCO-CHCl(2) (where, X=CH(3) and y=2) were synthesised and an extensive spectroscopic investigations have been carried out. The ab initio and DFT studies were carried out with 6-31G** and cc-pVDZ basis sets to(More)
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