期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 119, 期 23, 页码 12887-12895出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.5b03714
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资金
- ONR [NOOO14-12-1-0536]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1337908] Funding Source: National Science Foundation
The structural, electronic, and physicochemical properties of 4,4'-bis(nitramino)azofurazan and 4,4'-bis(nitramino)azoxyfurazan as high-energy density materials were compared. In addition, a new family of nitrogen-rich energetic salts based on these two nitroaminofurazans were synthesized and fully characterized. On the basis of experimental evidence and theoretical calculations, 4,4'-bis(nitramino)azoxyfurazan and its ionic derivatives were found to exhibit higher detonation velocities and pressures, and higher densities than their azofurazan analogues which supports the added value of introduction of the N-oxide moiety into energetic materials. The solid state features for the two nitroaminofurazans were studied in detail by X-ray diffraction and noncovalent interaction index which identify additional hydrogen-bonding and extensive edge-to-face pp stacking interactions arising from the presence of the azoxy N-oxide.
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