Reactions using the high nitrogen heterocycle 3,4,5-triamino-1,2,4- triazole (guanazine) with strong acids (HN03, HCl04, and "HN(N02)2") resulted in a family of highly stable salts. All of the salts were characterized using spectroscopic as well as single crystal x-ray diffraction studies. The x-ray structures are compared to that obtained from theoretical calculations (MP2/6- 311+G(d,p) level). Initial safety testing (impact, friction) was carried out on all of the new materials.
Quarternary salts based upon 3-alkyl substituted 1-amino-1,2,3- triazolium cations (alkyl = methyl, ethyl, n-propyl, 2-propenyl, and n-butyl) have been synthesized and characterized by vibrational spectra, multinuclear NMR, elemental analysis, and DSC studies. Subsequent diazotization of these salts results in the exclusive formation of 1-alkyl-1,2,3-triazoles. Single crystal x-ray studies were carried out for 1-amino-3- methyl-1,2,3-triazolium iodide, 1-amino-3-ethyl-1,2,3-triazolium bromide, 1-amino-3-npropyl- 1,2,3- triazolium bromide, and 1-amino-3-n-butyl-1,2,3-triazolium bromide as well as the starting heterocycle, ...
The synthesis and characterization of 1 ,5-diamino- 1,2,3 ,4- tetrazolium perchlorate were carried out. Experimental evidence strongly supports the protonation of a nitrogen atom of the tetrazole ring, including the structure observed in a single crystal x-ray diffraction study of the title compound. Quantum chemical calculations were performed at the CCSD(T)/6- 311G(2df,p)//MP2/6-311G(d,p) level of theory to determine the relative energies of all possible N-protonated structures of the 1,5.-diamino- 1,2,3,4-tetrazole ring. ...
New classes of ionic liquids based upon the halide and nitrate salts of 1-alkyl substituted-4 amino-1,2,4-triazolium cations (n-alkyl =methyl -decyl, isopropyl, ally, and methylcylcopropyl) have been synthesized, characterized by vibrational spectra, multinuclear nmr, elemental analysis, and DSC studies. Single crystal x-ray diffraction studies were carried out on 1-isopropyl-4- amino-1,2,4-triazolium bromide, 1 -ethyl-4-amino- 1 ,2,4-triazolium bromide, 1 - n-propyl-4-amino- 1 ,2,4-triazolium bromide, 1-n- hexyl-4-amino-1 ,2,4- triazolium bromide, and 1-n-heptyl-4-amino-1,2,4-triazolium bromide, as ...
The synthesis, characterization, theoretical calculations, and safety studies of energetic salts of 1,2-bis(oxyamino) ethane, (H2N-O-CH2-CH2-O-NH2), were carried out. The salts were characterized by vibrational (infrared, Raman), multinuclear nmr studies (1H, 13C), differential scanning calorimetry (DSC); elemental analysis; and initial safety testing (impact and friction sensitivity) . Theoretical calculations on the neutral, monoprotonated, and doubly protonated species of ethylene bisoxyamine were carried out using xxxx level of theory for the lowest ...
Ionic liquids is one of the focal points for HEDM research. HEDM research effort has shifted away from cryogenic/matrix isolation and now is pointing into synthetic endeavors. Ionic liquids have been around a very long time (100 years), and recently they have really taken off. But in this "take off" most researchers are looking for applications in the use of ionic liquids. Few people are looking at ionic liquids for ...
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