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A relationship between the shape, particularly the calculated length-to-breadth ratios, of polycyclic aromatic hydrocarbons (PAH) and their reversed-phase C18 liquid chromatographic (LC) retention is described. In general, when isomeric PAH are compared, tha LC retention increases with increasing length-to-breadth ratio. Retention data and length-to-breadth ratios for 100 PAH are compared. Tha elution orders for methyl-substituted fluorenes, anthracenes, phenenthrenes, pyrenes, fluoranthenes, benzocphenanthrenes, benz-aanthracenes, chrysenes, and benzoapyrenee are reliably predicted from the calculated length-to-breadth ratios.
Wise et al. (Tue,) studied this question.