Theoretical modeling of infrared spectra of hydrogen-bonded crystals of salicylic acid

Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jun;64(3):757-60. doi: 10.1016/j.saa.2005.06.049. Epub 2006 Jan 18.

Abstract

A theoretical model for the infrared spectra in the O-H stretching region of hydrogen-bonded salicylic acid is presented. Based on the model, infrared spectrum in the O-H stretching region is calculated for salicylic acid and compared with the experimental one. The experimental and theoretical spectra are in good agreement.

MeSH terms

  • Crystallization
  • Hydrogen Bonding
  • Models, Chemical*
  • Salicylic Acid / chemistry*
  • Salicylic Acid / isolation & purification
  • Spectrophotometry, Infrared

Substances

  • Salicylic Acid