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- Publisher
- Wiley
- Copyright
- Copyright © 1999 John Wiley & Sons, Inc.
- ISSN
- 1042-7163
- eISSN
- 1098-1071
- DOI
- 10.1002/(SICI)1098-1071(1999)10:7<548::AID-HC6>3.0.CO;2-Z
- Publisher site
- See Article on Publisher Site
Abstract
The thermal decomposition of three nitrophenyl azides, 1,3‐5‐(NO2)3‐2,4,6‐(N3)3‐C6 (TNTA, 1), 1,3‐(NO2)2‐2,4,6‐(N3)3 ‐C6H (DNTA, 2), and 1,3,5‐(NO2)3‐2‐(N3)‐C6H2 (TNMA, 3), were studied experimentally, and the reaction energies were calculated quantum‐chemically (B3LYP/6‐31G(d)//PM3/VSTO‐3G(d)). The compound that was most promising as a potential high energy density material (HEDM) was found to be 1,3‐5‐(NO2)3‐2,4,6‐(N3)3‐C6 (TNTA, 1), because the thermal decomposition led to gaseous products only (CO and N2). The combustion of mixtures of with O2 and 1 with NH4NO3 was also studied and calculated. The solid mixture of 1 and NH4NO3 in a 1:6 molar ratio was studied and discussed as a potential new HEDM. © 1999 John Wiley & Sons, Inc. Heteroatom Chem 10:548–553, 1999
Journal
Heteroatom Chemistry – Wiley
Published: Jan 1, 1999