Comparison of Experimental and Calculated Ion Mobilities of Small Molecules in AirReport as inadecuate

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Journal of Analytical Methods in Chemistry - Volume 2016 2016, Article ID 6246415, 6 pages -

Research ArticleInformation Engineering and Technology Faculty, German University in Cairo, El Tagamoa El Khames, Cairo, Egypt

Received 17 March 2016; Accepted 5 May 2016

Academic Editor: Bradley B. Schneider

Copyright © 2016 Frank Gunzer. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Ion mobility spectrometry is a well-known technique for analyzing gases. Examples are military applications, but also safety related applications, for example, for protection of employees in industries working with hazardous gases. In the last 15 years, this technique has been further developed as a tool for structural analysis, for example, in pharmaceutical applications. In particular, the collision cross section, which is related to the mobility, is of interest here. With help of theoretic principles, it is possible to develop molecular models that can be verified by the comparison of their calculated cross sections with experimental data. In this paper, it is analyzed how well the ion trajectory method is suitable to reproduce the measured ion mobility of small organic molecules such as the water clusters forming the positively charged reactant ions, simple aromatic substances, and n-alkanes.

Author: Frank Gunzer



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