HPLC SEPARATION AND FT-IR ISOMER DIFFERENTIATION OF THE 1,2,4,7/1,2,4,8-TETRACHLORODIBENZODIOXIN ISOMER PAIR - A THEORETICAL/EMPIRICAL APPROACH TO DIBENZODIOXIN ISOMER ASSIGNMENT.

James Grainger, Elizabeth Barnhart, Donald G. Patterson, David Presser

Research output: Contribution to journalArticle

14 Citations (Scopus)

Abstract

The 1,2,4,7-and 1,2,4,8-tetrachlorodibenzodioxin (TCDD) isomers were separated by reversed-phase high-performance liquid chromatography (HPLC) with the use of a pyrene column. Fourier transform infrared (FT-IR) matrix isolation and vapor-phase spectra of the individual isomers were recorded. The spectra of the HPLC-separated isomers correlate well with spectral subtraction results and were found to be distinct in three spectral regions - one of which allows for isomer structural assignment. Ambiguities and differences in published TCDD isomer FT-IR assignments are discussed in terms of a qualitative valence-bond approach and empirically derived estimates of ether linkage asymmetric stretching frequencies.

Original languageEnglish (US)
Pages (from-to)321-326
Number of pages6
JournalApplied Spectroscopy
Volume42
Issue number2
DOIs
StatePublished - Jan 1 1988

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liquid chromatography
High performance liquid chromatography
Isomers
Fourier transforms
isomers
Infrared radiation
Pyrene
pyrenes
subtraction
linkages
Ether
ambiguity
Stretching
Ethers
ethers
isolation
Vapors
dibenzodioxin
vapor phases
valence

All Science Journal Classification (ASJC) codes

  • Instrumentation
  • Spectroscopy

Cite this

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title = "HPLC SEPARATION AND FT-IR ISOMER DIFFERENTIATION OF THE 1,2,4,7/1,2,4,8-TETRACHLORODIBENZODIOXIN ISOMER PAIR - A THEORETICAL/EMPIRICAL APPROACH TO DIBENZODIOXIN ISOMER ASSIGNMENT.",
abstract = "The 1,2,4,7-and 1,2,4,8-tetrachlorodibenzodioxin (TCDD) isomers were separated by reversed-phase high-performance liquid chromatography (HPLC) with the use of a pyrene column. Fourier transform infrared (FT-IR) matrix isolation and vapor-phase spectra of the individual isomers were recorded. The spectra of the HPLC-separated isomers correlate well with spectral subtraction results and were found to be distinct in three spectral regions - one of which allows for isomer structural assignment. Ambiguities and differences in published TCDD isomer FT-IR assignments are discussed in terms of a qualitative valence-bond approach and empirically derived estimates of ether linkage asymmetric stretching frequencies.",
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HPLC SEPARATION AND FT-IR ISOMER DIFFERENTIATION OF THE 1,2,4,7/1,2,4,8-TETRACHLORODIBENZODIOXIN ISOMER PAIR - A THEORETICAL/EMPIRICAL APPROACH TO DIBENZODIOXIN ISOMER ASSIGNMENT. / Grainger, James; Barnhart, Elizabeth; Patterson, Donald G.; Presser, David.

In: Applied Spectroscopy, Vol. 42, No. 2, 01.01.1988, p. 321-326.

Research output: Contribution to journalArticle

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