ROTATIONAL STUDIES IN THE HYDROXYBUTYRIC ACID SYSTEM

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Abstract

The rotational spectra of $\alpha$-, $\beta$-, and $\gamma$-hydroxybutyric acids have been investigated using CP-FTMW spectroscopy in order to study their conformational geometries and the effects of internal hydrogen bonding within the various compounds. Concurrently, \textit{ab initio} calculations have been carried out in an effort to compare the theoretical and experimental results. In addition, the rotational spectrum of $\gamma$-butyrolactone has been observed so that similarities in the geometry can be compared to the conformational geometry of $\gamma$-hydroxybutyric acid. The $\gamma$-butyrolactone results when water is removed from $\gamma$-hydroxybutyric acid. This system is interesting because the two compounds can be interconverted. There is currently a good deal of interest in various methods of detecting and quantifying $\gamma$-hydroxybutyric acid in the forensic community. On the street, it is commonly known as GHB, a compound often used as a ``date rape drug''.

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Author Institution: Department of Chemistry, University of Virginia, McCormick Rd., P.O. Box 400319, Charlottesville, VA 22904; Department of Chemistry, Kent State University, Kent, OH 44242

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