Bis(5‐amino‐1,2,4‐triazol‐4‐ium‐3‐yl)methane dichloride (BATZM·Cl₂ or C₅H₁₀N₈²⁺·2Cl⁻) was synthesized and crystallized, and the crystal structure was characterized by single‐crystal X‐ray diffraction; it belongs to the space group C2/c (monoclinic) with Z = 4. The structure of BATZM·Cl₂ can be described as a V‐shaped molecule with reasonable chemical geometry and no disorder, and its one‐dimensional structure can be described as a rhombic helix. The specific molar heat capacity (C_p,m) of BATZM·Cl₂ was determined using the continuous C_p mode of a microcalorimeter and theoretical calculations, and the C_p,m value is 276.18 J K⁻¹ mol⁻¹ at 298.15 K. The relative deviations between the theoretical and experimental values of C_p,m, H_T – H_298.15K and S_T – S_298.15K of BATZM·Cl₂ are almost equivalent at each temperature. The detonation velocity (D) and detonation pressure (P) of BATZM·Cl₂ were estimated using the nitrogen equivalent equation according to the experimental density; BATZM·Cl₂ has a higher detonation velocity (7143.60 ± 3.66 m s⁻¹) and detonation pressure (21.49 ± 0.03 GPa) than TNT. The above results for BATZM·Cl₂ are compared with those of bis(5‐amino‐1,2,4‐triazol‐3‐yl)methane (BATZM) and the effect of salt formation on them is discussed.

中文翻译：

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双（5-氨基-1,2,4-三唑-4-鎓-3-基）甲烷二氯化物的晶体结构，热性质和爆轰表征。

双（5-氨基-1,2,4-三唑-4-鎓-3-基）甲烷二氯化（BATZM·氯₂或C ₅ ħ ₁₀ ñ ₈ ²⁺ ·2CL ^- ）合成和结晶，结晶结构通过单晶X射线衍射表征；它属于Z = 4的空间群C 2 / c（单斜）。BATZM·Cl ₂的结构可以描述为化学结构合理，无序的V形分子，其一维结构可以是描述为菱形螺旋。BATZM·Cl ₂的比摩尔热容（C _p，m）使用连续测定Ç _p微热量和理论计算，和的模式Ç _p，米值为276.18Ĵķ ^-1 摩尔^-1 298.15 K的理论和实验值之间的相对偏差Ç _p，米，ħ BATZM·Cl _2的T – H _298.15K和S _T – S _298.15K在每个温度下几乎相等。BATZM·Cl ₂的爆轰速度（D）和爆轰压力（P）根据实验密度，用氮当量方程估算。BATZM·Cl ₂的爆轰速度（7143.60±3.66 m s ^-1）和爆轰压力（21.49±0.03 GPa）比TNT高。将上述BATZM·Cl _2的结果与双（5-氨基1,2,4-三唑-3-基）甲烷（BATZM）的结果进行了比较，并讨论了成盐对其的影响。