Summary
Molecular connectivity indices (x) through the sixth order were calculated and compared with measured reversed-phase liquid chromatographic retention data of sixteen dansyl derivatives of amines (dansylamides). Retention measurements were performed in the capacity factor, k′, range 1–30 with organic solvent-water eluents using acetone, acetonitrile, ethanol, methanol, 1-propanol and 2-propanol. Mainly valence level indices were selected to describe retention. Indices of different order were selected in the different eluents, suggesting that there are differences in the retention mechanism in these eluents. Retention can be predicted with great accuracy by the molecular connectivity indices, as the high correlations between the calculated and observed retention indicate.
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Lehtonen, P. Use of molecular connectivity indices to predict LC retention of dansylamides in six different eluent systems. Chromatographia 19, 316–321 (1984). https://doi.org/10.1007/BF02687762
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DOI: https://doi.org/10.1007/BF02687762