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Synthesis and Characterization of 3,4,5‐Triamino‐1,2,4‐Triazolium 5‐Nitrotetrazolate
Author(s) -
Darwich Chaza,
Klapötke Thomas M.,
Welch Jan M.,
Suceska Muhamed
Publication year - 2007
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200700025
Subject(s) - triclinic crystal system , crystallography , raman spectroscopy , crystal structure , single crystal , chemistry , elemental analysis , infrared spectroscopy , yield (engineering) , materials science , physics , inorganic chemistry , organic chemistry , optics , metallurgy
3,4,5‐Triamino‐1,2,4‐triazolium 5‐nitrotetrazolate ( 2 ) was synthesized in high yield from 3,4,5‐triamino‐1,2,4‐triazole (guanazine) ( 1 ) and ammonium 5‐nitrotetrazolate. The new compound 2 was characterized by vibrational (IR and Raman) and multinuclear NMR spectroscopy ( 1 H, 13 C, 15 N), elemental analysis and single crystal X‐ray diffraction (triclinic, P(‐1), a =0.7194(5), b =0.8215(5), c =0.8668(5) nm, α=75.307(5), β=70.054(5), γ=68.104(5)°, V =0.4421(5) nm 3 , Z =2, ϱ=1.722 g cm −1 , R 1 =0.0519 [ F >4σ( F )], wR 2 (all data)=0.1154). The 15 N NMR spectrum and X‐ray crystal structure (triclinic, P ‐1, a =0.5578(5), b =0.6166(5), c =0.7395(5) nm, α=114.485(5)°, β=90.810(5)°, γ =97.846(5)°, V =0.2286(3) nm 3 , Z =2, ϱ=1.658 g cm −1 , R 1 =0.0460 [ F >4σ( F )], wR 2 (all data)=0.1153) of 1 were also determined.