Accession Number : ADA310524

Title :   Attenuated Total Reflection Fourier Transform Infrared Spectroscopic Study of Dimethyl Sulfoxide Self-Association in Acetonitrile Solutions,

Descriptive Note : Technical rept.,

Corporate Author : CALIFORNIA UNIV DAVIS DEPT OF CHEMISTRY

Personal Author(s) : Fawcett, W. R. ; Kloss, Alla A.

PDF Url : ADA310524

Report Date : 1996

Pagination or Media Count : 28

Abstract : Dimethyl sulfoxide solutions in acetonitrile were studied using the method of Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR FTIR) to elucidate the nature and the quantities of DMSO self-associates in solution. Results obtained are discussed together with earlier evidence of DMSO self-association in the literature. The results of the present study were used to resolve existing controversies in the assignment of bands in the DMSO vibrational spectrum. The structure of the bands due to the skeletal vibrations was found to be complex. It was shown that DMSO molecules in solution associate in cyclic dimers. Two independent calculations were performed to estimate the dimerization constant as well as the respective Gibbs free energy using the data for the SO-stretch and CSC-asymmetric stretch of DMSO.

Descriptors :   *FOURIER TRANSFORMATION, *INFRARED SPECTROSCOPY, *ACETONITRILE, *FOURIER SPECTROSCOPY, *METHYL SULFOXIDE, REPRINTS, COMPUTATIONS, SOLUTIONS(MIXTURES), MOLECULES, REFLECTION, CYCLES, FREE ENERGY, DIMERS, VIBRATIONAL SPECTRA.

Subject Categories : Inorganic Chemistry
      Physical Chemistry
      Polymer Chemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE