The CN7 − Anion

Several salts containing the CN7 − anion were prepared by deprotonation of 5-azido-1H-tetrazole (1). The highly explosive compounds hydrazinium (2), ammonium (3), aminoguanidinium (4), guanidinium (5), lithium (6), sodium (7), potassium (8), cesium (9), and calcium (10) azidotetrazolate were charact...

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Veröffentlicht in:Journal of the American Chemical Society 2009-01, Vol.131 (3), p.1122-1134
Hauptverfasser: Klapötke, Thomas M, Stierstorfer, Jörg
Format: Artikel
Sprache:eng
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Zusammenfassung:Several salts containing the CN7 − anion were prepared by deprotonation of 5-azido-1H-tetrazole (1). The highly explosive compounds hydrazinium (2), ammonium (3), aminoguanidinium (4), guanidinium (5), lithium (6), sodium (7), potassium (8), cesium (9), and calcium (10) azidotetrazolate were characterized by low temperature single X-ray diffraction. Other analytic methods, such as IR and Raman spectroscopy, multinuclear NMR spectroscopy, mass spectrometry, and differential scanning calorimetry were performed when possible since some of the metal salts explode spontaneously. 2 contains the highest nitrogen content (87.48%) of all known tetrazole salts. The impact, friction, and electrical spark sensitivity of 2, 3, 4, and 5 were measured, resulting in values which belong to primary explosives. In addition, the heats of formation of 2, 3, and 4 were calculated using the CBS-4M level of quantum mechanical theory. These, in turn, were used to estimate detonation pressure p C-J and velocity D det as well as the specific impulse I sp.
ISSN:0002-7863
1520-5126
DOI:10.1021/ja8077522