Enantiomerization of 2,2′‐diisopropylbiphenyl during chiral inclusion gas chromatography: Determination of the rotational energy barrier by computer simulation of dynamic chromatographic elution profiles

Abstract

Abstract By computer simulation of experimental dynamic gas chromatographic elution profiles, the rotational energy barrier Δ G = of racemic 2,2′‐diisopropylbiphenyl has been determined as 114.6–115.0 kJ/mol (75–100°C). These data are in good agreement with a value that was determined previously by measuring the racemization kinetics of an enriched sample. This indicates that there is no measurable catalytic or inhibitory effect of the stationary phase. © 1994 Wiley‐Liss, Inc.