QUANTITATIVE STRUCTURE-RETENTION RELATIONSHIPS (QSRR) OF CONGENERIC AROMATICS SERIES STUDIED ON PHENYL OV PHASES IN GAS CHROMATOGRAPHY

摘要

Quantitative structure-retention relationships (QSRR) were established for three congeneric aromatic series of substituted benzene, benzaldehyde and acetophenone compounds which had been studied, previously, in gas chromatography, on six OV stationary phases with different phenyl percentages. Correspondence factor analysis (CFA) establishes the influences of temperature and phenyl percentage of the stationary phases on the retention indices. Topological analysis quantifies the contributions of molecular structure and phenyl content of the stationary phase on the chromatographic retention. The validity of the global linear model used in topological analysis is confirmed by CFA of the different set of topological parameters calculated for the retention of the compounds on the six OV stationary phases.