Univerzita Pardubice Fakulta chemicko- technologická

Univerzita Pardubice

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Publikace detail

The investigation of intramoleculatr interactions in the crystals of tetrazene explosive and its salts

Autoři: Samsonov Maksim Andreevich | Ryšavý Jan | Matyáš Robert | Růžička Aleš

Rok: 2021

Druh publikace: ostatní - přednáška nebo poster

Strana od-do: nestránkováno

Tituly:

Jazyk	Název	Abstrakt	Klíčová slova
eng	The investigation of intramoleculatr interactions in the crystals of tetrazene explosive and its salts	Tetrazene is an important primary explosive widely used as an energetic sensitizer in many initiating compositions, particularly in percussion and stab priming mixtures utilized for the ignition of the powder charge in cartridges and initiation devices in other munition products, respectively. This work presents the investigation of the effect of solvent/anions on crystal structures of tetrazene and its salts together with the number and strength of intermolecular contacts. Quantum-chemical calculations have been carried out in order to estimate the relative energies of the structural isomers of tetrazene. A high-resolution X-ray diffraction study in tetrazene hydrobromide has been performed and compared with theoretical results. The impact and friction sensitivity for tetrazene and its salts have been determined as well.	tetrazene; X-ray diffraction; intramolecular interactions; quantum-chemical calculations; tetrazene hydrobromide