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Proton Transfer Reaction Mass Spectrometry and the Unambiguous Real-Time Detection of 2,4,6 Trinitrotoluene

Fears of terrorist attacks have led to the development of various technologies for the real-time detection of explosives, but all suffer from potential ambiguities in the assignment of threat agents. Using proton transfer reaction mass spectrometry (PTR-MS), an unusual bias dependence in the detection sensitivity of 2,4,6 trinitrotoluene (TNT) on the reduced electric field (E/N) has been observed. For protonated TNT, rather than decreasing signal intensity with increasing E/N, which is the more usual sensitivity pattern observed in PTR-MS studies, an anomalous behavior is first observed, whereby the signal intensity initially rises with increasing E/N. We relate this to unexpected ion–molecule chemistry based upon comparisons of measurements taken with related nitroaromatic compounds (1,3,5 trinitrobenzene, 1,3 dinitrobenzene, and 2,4 dinitrotoluene) and electronic structure calculations. This dependence provides an easily measurable signature that can be used to provide a rapid highly selective analytica...

Autoren:   Philipp Sulzer; Fredrik Petersson; Bishu Agarwal; Kurt H. Becker; Simone Jürschik; Tilmann D. Märk; David Perry; Peter Watts; Chris A. Mayhew
Journal:   Analytical Chemistry
Jahrgang:   2012
DOI:   10.1021/ac3004456
Erscheinungsdatum:   16.04.2012
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