Quality Analysis and Quantum Classical Analysis of Acetaminophen

Abstract

In recent year’s Raman and IR spectroscopy has been widely used by pharmaceutical industry as a analytical tool for quality control. The present work Acetaminophen (common name paracetamol) is been characterized using Raman, FTIR, and UV-visible techniques. 5 different brands of tablets (name changed as A, B, C, D, and E) purchased from Medical shop for analysis and comparative studies. Spectrum recorded using Raman shows major peak in between 400-1600cm-1 wavelength respectively; the Y-axis intensity for them varies along shift in x-axis but majorly all remains same except in Tablet C. FTIR spectroscopy doesn’t show much variation in the reflectance spectra but slight variation in y –axis intensity is noted. UV-visible remains same for all the tablets. For comparison the optimized geometries, harmonic vibrational wave numbers and intensities of vibrational bands of Acetamenophen were determined using DFT-B3LYP with 6-311++G(d,p) level calculations. Weight variation and Tablet disintegration studies were also done to confirm weight in gms of individual tablet. The disintegration time shows breaking of tablets particles into smaller ones in particular time. The analysis of paracetomol quantity and its interdependence on the optical characterization such as Raman, FTIR, were interpreted through means of band width; functional group and bond length. UV-visible spectroscopy helps to determine the volumetric concentration dependence on functional group. The theoretical calculations were matched with experimental results.