Validity of empirical formulae obtained by gas chromatography-microwave-induced plasma atomic emission spectrometry

Abstract

A survey of empirical formulae obtained by means of microwave-induced plasma atomic emission spectrometric detection coupled to a gas chromatograph shows that, in general, the largest errors in molecular formula coefficients occur for hydrogen. An evaluation of the most commonly used method for formula calculation is presented. An alternative method, in which the chromatographic properties of the samples are more intensively considered, is outlined. For the studied data set this method, compared to the conventional approach, improved the reliability of the calculated molecular formulae.