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Journal of Structural Chemistry

2014 year, number 2

MOLECULAR PARAMETERS FOR GAS CHROMATOGRAPHICIDENTIFICATION OF E AND Z–ISOMERS OF UNSATURATED COMPOUNDS

I. G. Zenkevich
St. Petersburg State University, St. Petersburg, Russia
Keywords: unsaturated compounds, E- and Z-isomers, gas chromatographic retention indices, molecular topological parameters, pentadecenes, octadienes, methyl octadecenoates, identification

Abstract

The use of the previously proposed parameter U proportional to the vibrational component of intramolecular energies, which can be considered as a kind of molecular topological characteristics, enables the estimation of gas chromatographic retention indices of isomeric unsaturated compounds. The latter include both isomers differing in the position of С=С double bonds in the carbon skeleton of the molecules and isomers with different configurations of these bonds (E and Z).