GC/FT-IR/MS Spectroscopy of Native Polychlorinated Dibenzo-p-dioxins and Dibenzofurans Extracted from Municipal Fly-Ash

A number of native polychlorinated dibenzo- p -dioxins (PCDDs) and dibenzofurans (PCDFs) were isolated from the fly-ash of a municipal waste incinerator by Soxhlet extraction. Spectroscopic analysis of seven PCDDs and 10 PCDFs by GC/MS analysis coupled with FT-IR spectroscopy was performed. For assignment of vibrations, some representative IR spectra were simulated by ab initio calculations at the Hartree−Fock level with the basis set 3-21G(d,p). The utility of GC/FT-IR/MS spectroscopy for congener analysis and isomer discrimination in native dioxin samples is discussed.