STRUCTURE RETENTION CORRELATION IN LIQUID-CHROMATOGRAPHY

The analysis of retention mechanisms and the prediction of retention time in liquid chromatography were examined by physico-chemical parameters. The basic parameters used for the calculation were the octanol-water partition coefficient (log P), the Van der Waals volume, the dissociation constant and Hammett's sigma constant. The log P values were calculated by Rekker's method and the Van der Waals volumes were calculated by Bondi's method. The dissociation constants were calculated by the modified Hammett's equation. A method for the prediction of retention time in reversed-phase liquid chromatography is proposed and demonstrated from these calculated values and the retention was analysed by the measured enthalpy and proposed selectivity.