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Probing solids through THz spectroscopy: Differentiation of chiral and racemic forms of isostructural and non-isostructural cocrystals

  • Edward P.J. Parrott
  • , J. Axel Zeitler
  • , Tomislav Friščić
  • , Michael Pepper
  • , William Jones
  • , Graeme M. Day
  • , Lynn F. Gladden

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Cocrystals of theophylline (tp) and racemic and chiral forms of both tartaric acid (tart) and malic acid (mal) were investigated using terahertz time-domain-spectroscopy (THz-TDS). Using X-ray powder diffraction (XRPD) the racemic and chiral malic acid cocrystal forms were found to be nearly isostructural and therefore almost indistinguishable using XRPD. Using THz-TDS clear differences were observed both at room temperature and at 109 K. This was rationalized using lattice energy calculations and attributed to a difference in the conformational strain of the acid groups between the two cocrystal forms.

Original languageEnglish
Title of host publication33rd International Conference on Infrared and Millimeter Waves and the 16th International Conference on Terahertz Electronics, 2008, IRMMW-THz 2008
DOIs
Publication statusPublished - 2008
Event33rd International Conference on Infrared and Millimeter Waves and the 16th International Conference on Terahertz Electronics, 2008, IRMMW-THz 2008 - Pasadena, CA, United States
Duration: 15 Sept 200819 Sept 2008

Publication series

Name33rd International Conference on Infrared and Millimeter Waves and the 16th International Conference on Terahertz Electronics, 2008, IRMMW-THz 2008

Conference

Conference33rd International Conference on Infrared and Millimeter Waves and the 16th International Conference on Terahertz Electronics, 2008, IRMMW-THz 2008
Country/TerritoryUnited States
CityPasadena, CA
Period15/09/0819/09/08

ASJC Scopus subject areas

  • Electrical and Electronic Engineering

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