Prediction of gas chromatographic retention indexes for polychlorinated dibenzofurans.
A model has been developed by using molecular connectivity to describe the relationship between the molecular structure of polychlorinated dibenzofurans (PCDFs) and their gas chromatographic linear temperature-programmed retention characteristics on a 30-m fused silica column coated with a DB-5 stationary phase. Model variables account for the number of chlorine atoms present, the position and the relationship on each aromatic ring, the chlorine atom interaction between the two rings, and the skeletal structure of each PCDF isomer.
Robbat
A
A
Department of Chemistry, Tufts University, Medford, Massachusetts 02155.
Kalogeropoulos
C
C
D001572:Benzofurans / Q000032:analysis*; D002849:Chromatography, Gas; D000072338:Dibenzofurans, Polychlorinated; D008401:Gas Chromatography-Mass Spectrometry
D001572:Benzofurans; D000072338:Dibenzofurans, Polychlorinated