Magnetic Resonance in Chemistry 2007-08-01

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

Kirill A Chernyshev, Leonid B Krivdin, Lyudmila I Larina, Tatiana V Konkova, Maria M Demina, Alevtina S Medvedeva

Index: Magn. Reson. Chem. 45(8) , 661-6, (2007)

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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.Copyright 2007 John Wiley & Sons, Ltd.