Novel approach to the detection of triacetone triperoxide (TATP): Its structure and its complexes with ions

F. Dubnikova, R. Kosloff, Y. Zeiri, Z. Karpas

Research output: Contribution to journalArticlepeer-review

79 Scopus citations

Abstract

Vapors of chemical substances may be detected with a solid-state sensor coated with a layer that selectively and specifically forms a bond with the vapor, leading to changes in the physicochemical properties of the sensor device. Triacetone triperoxide (TATP) is a homemade explosive that may evade detection by most commonly used detectors but could be detected by a sensor with the proper coating. The conformation and the strength of the bond formed between TATP and several ions-Li+, Cu+, Zn2+, Cd2+, In3+, Sb3+, Sc3+, and Ti4+-have been calculated by quantum chemical methods. It was found that of the ions tested in the present work the bonds formed between TATP and Zn2+ and In3+ were the strongest and the interaction with Sb3+, Sc3+, and Ti4+ leads to cleavage of the TATP ring. Thus, in principle, a coating with a suitable ion may serve as the key element for detection of concealed TATP.

Original languageEnglish
Pages (from-to)4951-4956
Number of pages6
JournalJournal of Physical Chemistry A
Volume106
Issue number19
DOIs
StatePublished - 16 May 2002
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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