ic5020175_si_002.cif (118.68 kB)

Cocrystallization of Photosensitive Energetic Copper(II) Perchlorate Complexes with the Nitrogen-rich Ligand 1,2-Di(1H‑tetrazol-5-yl)ethane

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posted on 03.11.2014, 00:00 by Jürgen Evers, Ivan Gospodinov, Manuel Joas, Thomas M. Klapötke, Jörg Stierstorfer
Two recently introduced concepts in the design of new energetic materials, namely complexation and cocrystallization, have been applied in the synthesis and characterization of the energetic copper­(II) compound “[Cu­(dt-5-e)2(H2O)]­(ClO4)2,” which consists of two different complex cations and can be described as a model energetic ionic cocrystal. The presence of both the N-rich 1,2-di­(1H-tetrazol-5-yl)­ethane ligand and oxidizing perchlorate counterion results in a new type of energetic material. The ionic complex cocrystal consists of a mononuclear and a trinuclear complex unit. It can be obtained by precipitation from perchloric acid or by dehydration of the related mononuclear coordination compound [Cu­(dt-5-e)2(H2O)2]­(ClO4)2·2H2O at 70 °C in the solid state. The transformation starting at 60 °C was monitored by X-ray powder diffraction and thermal analysis. The energetic ionic cocrystal was shown to be a new primary explosive suitable for laser ignition. The different coordination spheres within the ionic cocrystal (octahedral and square pyramidal) were shown by UV/vis/NIR spectroscopy to result in excellent light absorption.