HYDROGEN-BONDING .27. SOLVATION PARAMETERS FOR FUNCTIONALLY-SUBSTITUTED AROMATIC-COMPOUNDS AND HETEROCYCLIC-COMPOUNDS, FROM GAS-LIQUID-CHROMATOGRAPHIC DATA

The truncated solvation equation log SP = c + rR2 + l log L16 has been applied to a very large number of sets of gas-liquid chromatographic data on non-polar stationary phases. Here, log SP can be log V(G) or can be the retention index I. R2 is the excess molar refraction of the solute and c, r and l are constants. A set of solutes of known log L16 values is used to construct the equation, and then further values of log L 16 can be obtained for any solute of known log SP value. In this way, new log L16 values for over 1000 solutes have been obtained. Then knowing log L16, and R2, the equation log SP = c + rR, + spi2H + l log L16 (s is a constant) can be applied to GLC data on polar non-acidic stationary phases, and the dipolarity/polarisability parameter pi2H determined similarly. Values of pi2H for over 700 compounds are reported, including those for functionally substituted aromatic compounds and heterocyclic compounds. It is shown that pi2H is a blend of dipolarity/polarisability, and cannot simply be calculated from solute dipole moments.