S. Sommer et al., GC FT-IR/MS SPECTROSCOPY OF NATIVE POLYCHLORINATED DIBENZO-P-DIOXINS AND DIBENZOFURANS EXTRACTED FROM MUNICIPAL FLY-ASH/, Analytical chemistry, 69(6), 1997, pp. 1113-1118
A number of native polychlorinated dibenzo-p-dioxins (PCDDs) and diben
zofurans (PCDFs) were isolated from the ny-ash of a municipal waste in
cinerator by Soxhlet extraction. Spectroscopic analysis of seven PCDDs
and 10 PCDFs by GC/MS analysis coupled with FT-IR spectroscopy was pe
rformed. For assignment of vibrations, some representative IR spectra
were simulated by ab initio calculations at the Harbree-Fock level wit
h the basis set 3-21G(d,p). The utility of GC/FT-IR/MS spectroscopy fo
r congener analysis and isomer discrimination in native dioxin samples
is discussed.