PŘEDPOVĚDI RETENČNÍCH INDEXŮ V PLYNOVÉ CHROMATOGRAFII BOJOVÝCH CHEMICKÝCH LÁTEK

Bedřich  UCHYTIL

doi:10.71934/

RETENTION INDEXES PREDICTION OF CHEMICAL WARFARE COMPOUND IN THE GAS CHROMATOGRAPHY

Authors

Bedřich UCHYTIL Author

DOI:

https://doi.org/10.71934/

Keywords:

Retention indexes, false boiling points, chemical warfare agents and another compounds groups, retention indexes prediction, isomers diferentiation when mass spectrometry is not effective

Abstract

A Method for prediction of the retention indexes of chemical warfare agents was
developed. The method concept uses calculated, so call false boiling points of different
alkylphosphonates including silylesters. Method was used for evaluation of the experimental
dates in building of the toxic compounds database of retention indexes of the Organisation for
the Prohibition Chemical Warfare in the Hague. This method is possible used too for another
compounds groups and for situations, when when mass spektrometry is not suitable for precise
structure determination.