Configurational assignment of carbon, silicon and germanium containing propynal oximes by means of 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants

Magn Reson Chem. 2007 Aug;45(8):661-6. doi: 10.1002/mrc.2017.

Abstract

Configurational assignment of five carbon, silicon and germanium containing propynal oximes has been carried out by means of experimental measurements and high-level ab initio calculations of their 13C-1H, 13C-13C and 15N-1H spin-spin coupling constants. The title compounds were shown to exist in the nonequilibrium mixture of E and Z isomers with the energy difference of less than 0.3 kcal/mol calculated at the MP2/6-311G** level.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alkynes / chemistry*
  • Carbon / chemistry
  • Carbon Isotopes
  • Germanium / chemistry
  • Isomerism
  • Magnetic Resonance Spectroscopy / methods*
  • Models, Molecular
  • Molecular Conformation
  • Nitrogen Isotopes
  • Oximes / chemistry*
  • Silicon / chemistry

Substances

  • Alkynes
  • Carbon Isotopes
  • Nitrogen Isotopes
  • Oximes
  • Germanium
  • methylacetylene
  • Carbon
  • Silicon