Synthesis and Characterization of 3,4,5-Triamino-1,2,4-Triazolium 5-Nitrotetrazolate

摘要

3,4,5-Triamino-1,2,4-triazolium 5-nitrotetrazolate (2) was synthesized in high yield from 3,4,5-triamino-l,2,4-triazole (guana-zine) (1) and ammonium 5-nitrotetrazolate.The new compound 2 was characterized by vibrational (IR and Raman) and multi-nuclear NMR spectroscopy (1H,13C,15N),elemental analysis and single crystal X-ray diffraction (triclinic,P(-l),a = 0.7194(5),b = 0.8215(5),c = 0.8668(5) nm,alpha = 75.307(5),beta = 70.054(5),gamma = 68.104(5)°,V= 0.4421(5) nm3,Z = 2,rho = 1.722 g cm-1,R1 = 0.0519 [F>4sigma(F)],wR2(all data) = 0.1154).The 15N NMR spectrum and X-ray crystal structure (triclinic,P-1,a = 0.5578(5),b = 0.6166(5),c = 0.7395(5) nm,alpha = 114.485(5)°,beta = 90.810(5)°,gamma = 97.846(5)°,V= 0.2286(3) nm3,Z = 2,rho = 1.658 g cm-1,R1 = 0.0460 [F>4sigma(F)],wR2(all data) =0.1153) of 1 were also determined.