Accession Number : AD0779679

Title :   The Vibrational Spectra and Structures of Organic Acids and Their Derivatives. 1. Bromoacetic Acid and Sodium Bromoacetate.

Descriptive Note : Interim technical rept. 1 Jul 71-1 Jan 74,


Personal Author(s) : Katon,John E. ; Kleinlein,Ronald L.

Report Date : FEB 1974

Pagination or Media Count : 46

Abstract : The complete vibrational spectra of solid bromoacetic acid (CH2BrCO2H) have been recorded along with most of the vibrational spectra of CH2BrCO2D, CD2BrCO2D and CD2BrCO2H. These spectra have been assigned to approximate normal modes of vibration. The results indicate that the bromoacetic acid polymorph stable at ambient conditions is a cyclic hydrogen bonded dimer. In addition, the complete vibrational spectra of crystalline sodium bromoacetate and sodium bromoacetate-d2 have been recorded and a vibrational assignment proposed. The intermolecular coupling of these compounds is quite strong and the data is consistent with a centrosymmetric unit cell containing at least four molecules. (Modified author abstract)

Descriptors :   *Infrared spectra, Spectrum analysis, Molecular vibration, Chemical bonds, Molecular structure, Acetates, Deuterium compounds

Subject Categories : Organic Chemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE