| Title |
Convenient preparation, thermal properties and X-ray structure determination of 2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD): a promising high-energy-density material / |
| Authors |
Šarlauskas, Jonas |
| DOI |
10.3390/ijms25105099 |
| Full Text |
|
| Is Part of |
International journal of molecular science.. Basel : MDPI. 2024, vol. 25, iss. 10, art. no. 5099, p. [1-14].. eISSN 1422-0067 |
| Keywords [eng] |
1,4-benzodioxane ; nitration ; nitro derivatives ; tetranitro ; synthesis ; X-ray crystallography ; structure ; thermal analysis ; high-energy high-density material (HEDM) |
| Abstract [eng] |
2,3-dihydro-5,6,7,8-tetranitro-1,4-benzodioxine (TNBD), molecular formula = C8H4N4O10, is a completely nitrated aromatic ring 1,4-benzodioxane derivative. The convenient method of TNBD synthesis was developed (yield = 81%). The detailed structure of this compound was investigated by X-ray crystallography. The results of the thermal analysis (TG) obtained with twice re-crystallized material revealed the onset at 240 °C (partial sublimation started) and melting at 286 °C. The investigated material degraded completely at 290–329 °C. The experimental density of 1.85 g/cm3 of TNBD was determined by X-ray crystallography. The spectral properties of TNBD (NMR, FT-IR and Raman) were explored. The detonation properties of TNBD calculated by the EXPLO 5 code were slightly superior in comparison to standard high-energy material—tetryl (detonation velocity of TNBD—7727 m/s; detonation pressure—278 kbar; and tetryl—7570 m/s and 226.4 kbar at 1.614 g/cm3, or 260 kbar at higher density at 1.71 g/cm3. The obtained preliminary results might suggest TNBD can be a potential thermostable high-energy and -density material (HEDM). |
| Published |
Basel : MDPI |
| Type |
Journal article |
| Language |
English |
| Publication date |
2024 |
| CC license |
|
