Low-frequency Vibrational Spectroscopy of \gamma-Aminobutyric Acid Derivatives: GABA Hydrochloride and \beta-Phenyl-GABA Hydrochloride

Sara J. Dampf, Timothy M. Korter

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

Abstract

The anti-anxiety drug \beta-phenyl-\gamma-aminobutyric acid (\beta-phenyl-GABA) has poorly characterized solid-state properties, despite its close similarity to the well-known neurotransmitter \gamma - aminobutyric acid (GABA). Here, the hydrochloride salts of both molecules are studied since drug formulations are often enhanced with crystallized salt variants to alter solubility. The packing arrangement of \beta-phenyl-GABA·HCI yields low-frequency spectra indicative of the unique intermolecular potential energy surface created from the forces holding the crystalline solid together. Clear differences can be seen between the terahertz spectra of GABA·HCI and \beta-phenyl-GABA·HCI with solid-state density functional theory simulations providing insight into the specific intermolecular forces that dominate this spectral region.

Original languageEnglish (US)
Title of host publication2020 45th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2020
PublisherIEEE Computer Society
Pages361
Number of pages1
ISBN (Electronic)9781728166209
DOIs
StatePublished - Nov 8 2020
Event45th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2020 - Virtual, Buffalo, United States
Duration: Nov 8 2020Nov 13 2020

Publication series

NameInternational Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
Volume2020-November
ISSN (Print)2162-2027
ISSN (Electronic)2162-2035

Conference

Conference45th International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz 2020
Country/TerritoryUnited States
CityVirtual, Buffalo
Period11/8/2011/13/20

ASJC Scopus subject areas

  • Energy Engineering and Power Technology
  • Electrical and Electronic Engineering

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