Abstract
The complete vibrational spectra of iodoacetic acid and sodium iodoacetate have been recorded. A tentative vibrational assignment for both molecules is proposed based on these spectra, the infrared spectra of iodoacetic acid- d 1, and previous results with other halogenated acetic acids. The spectra of iodoacetic acid can best be interpreted in terms of a hydrogen bonded dimer structure in the liquid and most common solid state. The two monomer units are sufficiently strongly coupled so that “pseudo” C 2h selection rules are followed. There is no evidence for the existence of more than one rotational isomer at room temperature or below and the data are most consistent with a structure in which the iodine atom is trans, or nearly trans, to the carbon-oxygen single bond of the acid.
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