Planar, Energetic, π–π-Stacked Compound with Weak Interactions Resulting in a High-Impact- and Low-Friction-Sensitive, Safer, Primary Explosive
1,5-Diaminotetrazolecopper(I) nitrate ([Cu(DAT)3]NO3, CDN) was synthesized, and its structure was confirmed by single-crystal X-ray diffraction. Owing to its layered planar structure and weak π interactions between layers, CDN has a high-impact sensitivity of 1.5 J and relatively low-friction sen...
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Veröffentlicht in: | Inorganic chemistry 2019-06, Vol.58 (12), p.7653-7656 |
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Hauptverfasser: | , , , , , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | 1,5-Diaminotetrazolecopper(I) nitrate ([Cu(DAT)3]NO3, CDN) was synthesized, and its structure was confirmed by single-crystal X-ray diffraction. Owing to its layered planar structure and weak π interactions between layers, CDN has a high-impact sensitivity of 1.5 J and relatively low-friction sensitivity of 84 N. First-principles calculations confirm that the planar structure of CDN makes CDN slide easily without the formation of hot spots, and its weak π interactions cannot resist the deformation toward impact (Young modulus, 10.13 GPa). In addition, the experimental detonation velocity of CDN was measured to be 7600 m s–1. All of these properties indicate that CDN is a competitive candidate for a high-performance primary explosive that is safe for handling, suitably sensitive for initiation, and powerful enough to detonate secondary explosives. |
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ISSN: | 0020-1669 1520-510X |
DOI: | 10.1021/acs.inorgchem.9b00778 |