PENTACHLORODIBENZO-p-DIOXIN ISOMER DIFFERENTIATION BY CAPILLARY GAS CHROMATOGRAPHY FOURIER TRANSFORM INFRARED SPECTROSCOPY.

James Grainger, V. Vikram Reddy, Donald G. Patterson

Research output: Contribution to journalArticle

10 Scopus citations

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 left bracket upsilon //C//O//C//(//a//s//y//m//) right bracket . Correlations between calculated linkage (C-O-C) bond angles and upsilon //C//O//C//(//a//s//y//m//) indicat existence of butressed 1,6 and 1,9 nonbonded interactions not observed in tetrachlorodibenzo-p-dioxin (TCDD) isomers.

Original languageEnglish (US)
Pages (from-to)800-806
Number of pages7
JournalApplied Spectroscopy
Volume42
Issue number5
DOIs
StatePublished - Jan 1 1988

All Science Journal Classification (ASJC) codes

  • Instrumentation
  • Spectroscopy

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