Quantitative Structure-Retention Relationships of Mixed Tris-beta-Diketonato Complexes on Polyacrylonitrile Sorbent

Abstract

Quantitative structure-retention relationships models have been developed for thin-layer chromatographic parameters of 30 mixed beta-diketonato complexes. In order to obtain predictive and interpretative models, we chromatographed a series of beta-diketonato complexes of cobalt(III), chromium(III) and ruthenium(III) on thin-layer polyacrylonitrile sorbent. Chemical descriptors: volume, surface area, energy of the highest occupied molecular orbital, energy of the lowest unoccupied molecular orbital, dipole moment, refractivity and polarizability were calculated from the structure and related to their chromatographic retention parameters by multiple linear regression analysis. The obtained models were used for interpretation of the retention behaviour of the investigated beta-diketonato complexes.