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(2‐Fluoro‐2,2‐dinitroethyl)‐2,2,2‐trinitroethylnitramine: A Possible High‐Energy Dense Oxidizer
Author(s) -
Klapötke Thomas M.,
Krumm Burkhard,
Rest Sebastian F.,
Reynders Martin,
Scharf Regina
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201300923
Subject(s) - chemistry , detonation , differential scanning calorimetry , detonation velocity , elemental analysis , raman spectroscopy , energetic material , standard enthalpy of formation , mass spectrometry , analytical chemistry (journal) , explosive material , fluorine , infrared spectroscopy , molecule , inorganic chemistry , organic chemistry , thermodynamics , physics , chromatography , optics
The fluorine‐containing polynitro energetic molecule (2‐fluoro‐2,2‐dinitroethyl)‐2,2,2‐trinitroethylnitramine and the corresponding precursors were synthesized and investigated as potential high‐energy dense oxidizers. The compounds have been characterized by using various analytical methods, single‐crystal X‐ray diffraction, vibrational spectroscopy (IR and Raman), multinuclear NMR spectroscopy, elemental analysis, mass spectrometry, and differential scanning calorimetry (DSC) measurements. The suitability of the compounds as potential oxidizers in energetic formulations has been investigated. In addition, the heats of formation of the products were calculated with the program package Gaussian 09. Several detonation parameters such as the detonation pressure, velocity, energy, and temperature were computed using the EXPLO5 code. Furthermore, the sensitivity towards impact, friction, and electrical discharge was determined using the German Federal Institute for Materials Research and Testing (BAM) drophammer, a friction tester, as well as a small‐scale electrical discharge device.