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 C=C double bonds in the carbon skeleton of the molecules and isomers with different configurations of these bonds (E and Z).
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Original Russian Text © 2014 I. G. Zenkevich.
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Translated from Zhurnal Strukturnoi Khimii, Vol. 55, No. 2, pp. 243–251, March–April, 2014.
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Zenkevich, I.G. Molecular parameters for gas chromatographic identification of E- and Z-isomers of unsaturated compounds. J Struct Chem 55, 223–231 (2014). https://doi.org/10.1134/S002247661402005X
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DOI: https://doi.org/10.1134/S002247661402005X