Abstract
The objective of this study was to relate temperatureprogrammed GC retention indexes of nonsubstituted PAHs with calculated molecular properties. Prediction of retention was made by use of a partial least squares regression equation using the descriptors, i.e., first-order valence molecular connectivity, ionization potential, length, height, and quadrupole moment. Retention index predictabitity was studied with respect to individual molecular weight ranges. Pericondensed PAHs were more accurately predicted (RMS=1.6 index units (iu) or coefficient of variation of 0.31%) than catacondensed PAHs (RMS=5.8 iu or coefficient of variation of 1.1%) with the descriptor set employed
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