Abstract
As part of the development of a model for retention prediction based on molecular structure, the effects of interactions between substituents on the retention of aromatic analytes in reversed-phase high-performance liquid chromatography were examined, using 73 ortho-, meta- and para-disubstituted aromatic compounds. The interactions can be expressed empirically as eluent-dependent interaction terms. A more general expression was also examined that includes elements for electronic interactions, dependent on the Hammett constants of the substituents and their susceptibility, ortho-steric effects and hydrogen bonding.
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