Rotational spectrum and internal dynamics of methylpyruvate

J Phys Chem A. 2013 Jan 24;117(3):590-3. doi: 10.1021/jp310074z. Epub 2013 Jan 14.

Abstract

The rotational spectra of five isotopologues (normal and all monosubstituted (13)C species) of methylpyruvate have been measured with the pulsed jet Fourier transform microwave technique. Rotational transitions are split into quintets due to the internal rotations of the two methyl groups. The corresponding barriers to internal rotation have been determined to be V(3)(H(3)C-O) = 4.883(8) kJ mol(-1) and V(3)(H(3)C-C) = 4.657(8) kJ mol(-1), respectively. Information on the skeletal heavy atom structure has been obtained from the 15 available rotational constants.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Fourier Analysis
  • Microwaves*
  • Pyruvates / chemistry*
  • Quantum Theory*
  • Rotation

Substances

  • Pyruvates