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采用热重法(TG)测定了2-a(4-甲氧羰基苯基)-5-氨基-6-羟基苯并噁唑(MAB)的热分解过程,测定了MAB及其在热分解过程中不同阶段产物的红外光谱,运用量子化学GAMESS软件计算了MAB分子的键级,推断了MAB的热分解机理,结果表明MAB的热分解过程是一个五阶段过程,起始步骤是甲基酯的分解.根据不同升温速率下的热重曲线计算得到MAB第一阶段热分解反应的表观活化能Ea=157.1 kJ.mol-1和指前因子A=3.715×1013.
The thermal decomposition of 2-a (4-methoxycarbonylphenyl) -5-amino-6-hydroxybenzoxazole (MAB) was measured by thermogravimetric method (TG) Infrared spectroscopy of the products in different stages, using the quantum chemistry GAMESS software to calculate the MAB bond level, inferred the thermal decomposition mechanism of MAB, the results show that thermal decomposition of MAB is a five-stage process, the initial step is methyl ester According to the thermogravimetric curves at different heating rates, the apparent activation energy Ea = 157.1 kJ · mol-1 and the pre-exponential factor A = 3.715 × 1013 for the first-stage thermal decomposition of MAB were calculated.