ISSN:
1612-1112
Keywords:
Gas chromatography
;
Retention-structure correlation
;
Molecular descriptors
;
Polycyclic aromatics
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Statistical and factor analysis have been used to test the ability of several molecular descriptors to predict the retention indexes (I) of polycyclic aromatic hydrocarbons determined on SPB-5 and SPB-20 stationary phases. Regression analysis with both columns showed that linear regression with connectivity index and bending energy of the molecules as independent variables gave the best correlation coefficients. ΔI 20–5, considered to be a measure of the polar forces in retention, gave a good correlation with the van der Waals radii of the molecules, or strain, and bending energy.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02290264
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