IR spectra of paracetamol

Authors

  • U Habiba Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh
  • A Alam Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh
  • S Rahman Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh
  • SUD Shamim Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh
  • AA Piya Department of Physics, Mawlana Bhashani Science and Technology University, Santosh, Tangail-1902, Bangladesh

DOI:

https://doi.org/10.3329/bjsir.v56i4.57197

Keywords:

Pharmaceuticals; Ab initio calculation; Molecular crystals; Hydrogen bond; Intermolecular interaction.

Abstract

Paracetamol is a very popular medication used to treat pain and fever. IR spectra of paracetamol have been measured for powder crystals. Ab initio calculations of its equilibrium geometry and vibrational spectra were carried out for spectrum interpretation. Differences between the experimental IR spectra of crystalline samples have been analyzed. Variations of molecular structure from the isolated state to molecular crystal were estimated based on the difference between the optimized molecular parameters of free molecules and the experimental bond lengths and angles evaluated for the crystal forms of the title compounds. The role of hydrogen bonds in the structure of molecular crystals of paracetamol is investigated.

Bangladesh J. Sci. Ind. Res.56(4), 255-262, 2021

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Published

2021-12-29

How to Cite

Habiba, U., Alam, A., Rahman, S., Shamim, S., & Piya, A. (2021). IR spectra of paracetamol. Bangladesh Journal of Scientific and Industrial Research, 56(4), 255–262. https://doi.org/10.3329/bjsir.v56i4.57197

Issue

Vol. 56 No. 4 (2021)

Section

Articles

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