Pentachlorodibenzo-p-Dioxin Isomer Differentiation by Capillary Gas Chromatography Fourier Transform Infrared Spectroscopy

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Abstract:

Reference infrared vapor-phase spectra of the 14 pentachlorodibenzo-p-dioxin (PnCDD) isomers were recorded at low microgram concentrations. A unique infrared spectrum corresponding to each chromatographically separated or spectrally subtracted mixture component was observed. The structures for individual isomers in each isomer pair were assigned by qualitative valence-bond evaluations and empirically derived quantitative estimations of ether linkage asymmetric stretching frequencies [νCOC(asym)]. Correlations between calculated ether linkage (C-O-C) bond angles and νCOC(asym) indicate the existence of buttressed 1,6 and 1,9 nonbonded interactions not observed in tetrachlorodibenzo-p-dioxin (TCDD) isomers.

Keywords: Analysis for dioxins; Infrared

Document Type: Research Article

DOI: http://dx.doi.org/10.1366/0003702884429166

Affiliations: 1: Division of Environmental Health Laboratory Sciences, Center for Environmental Health and Injury Control, Centers for Disease Control, Public Health Service, U.S. Department of Health and Human Services, Atlanta, Georgia 30333 2: Division of Environmental Health Laboratory Sciences, Center for Environmental Health and Injury Control, Centers for Disease Control, Public Health Service, U.S. Department of Health and Human Services, Atlanta, Georgia 30333

Publication date: July 1, 1988

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