Relationship between gas chromatographic retention of polychlorinated dibenzofurans and calculated molecular surface area
In the analysis of the composition of organic residues in environmental samples, complex mixtures are generally observed. Complex residues, such as toxaphene, can contain as many as 500-600 components. The major analytical technique used for characterizing such mixtures is GC/MS. Isomer identification is one of the most important objectives of the gas chromatographic analysis of such mixtures. Identification of constituents in such complex mixtures is based, in part, on the relative retention time or retention index of the component. A number of attempts have been made to develop predictive relationships between retention data and the structure of an analyte. In this report the relationship between the relative retention time of polychlorinated dibenzofurans and molecular structure is explored using molecular modeling techniques.
- Research Organization:
- Univ. of Illinois, Chicago
- OSTI ID:
- 5698301
- Journal Information:
- Anal. Chem.; (United States), Journal Name: Anal. Chem.; (United States) Vol. 58:8; ISSN ANCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400102* -- Chemical & Spectral Procedures
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Atmospheric-- Chemicals Monitoring & Transport-- (-1989)
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54 ENVIRONMENTAL SCIENCES
AROMATICS
BENZOFURANS
CHEMICAL ANALYSIS
CHEMICAL PROPERTIES
CHLORINATED AROMATIC HYDROCARBONS
CHROMATOGRAPHY
CORRELATIONS
DATA
DISPERSIONS
ENVIRONMENTAL MATERIALS
EXPERIMENTAL DATA
FURANS
GAS CHROMATOGRAPHY
HALOGENATED AROMATIC HYDROCARBONS
HETEROCYCLIC COMPOUNDS
INFORMATION
ISOMERS
MATERIALS
MATHEMATICAL MODELS
MIXTURES
MOLECULAR MODELS
MOLECULAR STRUCTURE
NUMERICAL DATA
ORGANIC CHLORINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
QUANTITATIVE CHEMICAL ANALYSIS
SEPARATION PROCESSES
SURFACE AREA
SURFACE PROPERTIES
TIME DEPENDENCE