Relationships between molecular connectivity indices, partition coefficients and chromatographic parameters

Chemometrics

“…Numerous papers have been published relating chromatographic retention or partitioning data to molecular structure and/or physicochemical properties. In LC, several papers have addressed the issue using molecular connectivities (SP7,SP25,SP26,SP33,SP34,SP38). Several other papers have addressed the same problem using physicochemical properties of the system (SP4, SP13-18).…”

Structure-retention relationship analysis for some mono- and polycyclic aromatic hydrocarbons in reversed-phase liquid chromatography using molecular connectivity

“…(16) Engelhard!, H.; Ahr, G. Chromatographia 1981, 14, 227-233. (17) Wetherold, R. G.; Wissler, E. H.; Bischoff, K. B. Adv. Chem.…”

“…Liquid chromatographic retention on reversed phases (RPLC) is highly dependent upon molecular structure and is the property correlated with molecular connectivity in this paper. Molecular connectivity has been used to predict gas chromatographic (7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17)(18)(19)(20) and/or liquid chromatographic retention (21)(22)(23)(24)(25)(26)(27)(28)(29)(30)(31)(32)(33)(34)(35)(36)(37)(38)(39)(40) for a variety of compounds. This study was undertaken to ascertain whether multivariable expressions of molecular connectivity would improve reported predictions of the RPLC retention of alkylbenzenes and polycyclic aromatic hydrocarbons (hereafter referred to collectively as "hydroaromatics"-compounds containing only carbon and hydrogen and an aromatic site).…”