Science and Technology of Energetic Materials

Vol.74, No.5 (2013)

Research paper

Synthesis and thermal analysis of alkali metal compounds of 1,2,4-triazole-3-one
Mikito Nakano, Satoru Yoshino, Mieko Kumasaki and Atsumi Miyake


Alkali metals were reacted with 1,2,4-triazole-3-one (TO) in order to investigate the effect of different metals on the thermal properties of ionized TO rings. Three TO alkali metal compounds, namely, TOLi, TONa, and TOK, were synthesized, and their thermal properties and structures were compared with those of TO. The structures of the TO alkali metal compounds were investigated using Fourier transform infrared spectrometry (FT-IR), nuclear magnetic resonance spectrometry (1H-NMR), ultra violet spectroscopy (UV), elemental analysis (EA), and molecular orbital (MO) calculations. FT-IR and UV spectra showed that all TO alkali metal compounds retained the carbonyl group and five membered ring of TO. 1H NMR results indicated that the TO alkali metal compounds retained two of the hydrogen atoms in the original TO ring structure, and EA results was consistent with the structure. MO calculations showed that the bond length of N1-N2, C5-N1, and C5-H9 increased when the valence decreased. The thermal behavior of the TO alkali metal compounds was investigated by sealed cell differential scanning calorimetry (SC-DSC). From the results of SC-DSC, an endothermic peak and an exothermic peak in TO thermal behavior were observed at different temperatures, and TO alkali metal compounds showed an endothermic peak just before exothermic peak. These major exothermic peak and endothermic peak of TO alkali metal compounds decreased in temperature on increasing the atomic number of the alkali metal.

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1,2,4-triazol-3-one, metal compound, thermal decomposition

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