| Autor: |
Giles ID; CBMSE, Code 6910, Naval Research Laboratory, Washington, DC 20375, USA., DeHope AJ; Lawrence Livermore National Laboratory, 7000 East Ave, Mail Stop L-282, Livermore, CA 94550, USA., Zuckerman NB; Lawrence Livermore National Laboratory, 7000 East Ave, Mail Stop L-282, Livermore, CA 94550, USA., Parrish DA; CBMSE, Code 6910, Naval Research Laboratory, Washington, DC 20375, USA., Pagoria PF; Lawrence Livermore National Laboratory, 7000 East Ave, Mail Stop L-282, Livermore, CA 94550, USA. |
| Jazyk: |
angličtina |
| Zdroj: |
Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2018 Mar 09; Vol. 74 (Pt 4), pp. 505-513. Date of Electronic Publication: 2018 Mar 09 (Print Publication: 2018). |
| DOI: |
10.1107/S205698901800364X |
| Abstrakt: |
In energetic materials, the crystal density is an important parameter that affects the performance of the material. When making ionic energetic materials, the choice of counter-ion can have detrimental or beneficial effects on the packing, and therefore the density, of the resulting energetic crystal. Presented herein are a series of five ionic energetic crystals, all containing the dianion 5,5'-(3,3'-bi[1,2,4-oxa-diazole]-5,5'-di-yl)bis-(1 H -tetra-zol-1-olate), with the following cations: hydrazinium ( 1 ) (2N 2 H 5 + ·C 6 N 12 O 4 2- ), hydroxyl-ammonium ( 2 ) 2NH 4 O + ·C 6 N 12 O 4 2- [Pagoria et al.. (2017). Chem. Heterocycl. Compd , 53 , 760-778; included for comparison], di-methyl-ammonium ( 3 ) (2C 2 H 8 N + ·C 6 N 12 O 4 2- ), 5-amino-1 H -tetra-zol-4-ium ( 4 ) (2CH 4 N 5 + ·C 6 N 12 O 4 2- ·4H 2 O), and amino-guanidinium ( 5 ) (2CH 7 N 4 + ·C 6 N 12 O 4 2- ). Both the supra-molecular inter-actions and the sterics of the cation play a role in the density of the resulting crystals, which range from 1.544 to 1.873 Mg m -1 . In 5 , the tetra-zolate ring is disordered over two positions [occupancy ratio 0.907 (5):0.093 (5)] due to a 180° rotation in the terminal tetra-zole rings. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
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