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Prediction of Gas Chromatographic Retention Indexes of Mono-, Di- and Trimethylbiphenyls

B. Bogdanov ; Department of Chemistry, University of Skopje, Macedonia, Yugoslavia

Puni tekst: engleski pdf 4.335 Kb

str. 671-682

preuzimanja: 301



Two graph-theoretical models have been developed to describe the relationship between the molecular structure of methyl-, dirnethyl- and trimethylbiphenyls and their gas chromatographic retention characteristics. The retention time of these compounds was predicted as a linear relations hip between the retention time and first-order mean square distance index. A multiple linear equation, containing five terms, was also developed. The sixth-order path/cluster connectivity index representing substitution patterns of mono-, di- and trimethylbiphenyls is discussed. In addition, the use of mean square indices in a quantitative structure-retention relationship study was tested for the first time.

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