本論文利用傅立葉轉換紅外光譜儀(FT-IR)研究1氫-1,2,4-三唑(1H-1,2,4-triazole)與其衍生物1,2,4-三氮唑-3-羧酸(1,2,4-triazole-3-carboxylic acid, TCA)在二氧化鈦粉末表面上的吸附與反應。1H-1,2,4-triazole在35 °C下主要的吸附結構是以2號氮與表面的鈦原子鍵結，並以1號氮上的N–H與表面上的氧原子形成氫鍵。在真空環境下，1H-1,2,4-triazole加熱至300 °C以上三唑環會先經過一次質子轉移，接著斷裂1N–2N與3N–4C鍵，破環產生–NCO (2206 cm-1)、HNCNH (2069 cm-1)與–N3 (2011 cm-1)。在氧氣存在的環境下，除了–NCO與–N3以外，1H-1,2,4-triazole在加熱時還會產生HCOOH(a) (1673 cm-1)、HCOO(a) (1357、1560、2868、2950 cm-1)、–NO–(1176 cm-1)、CO¬2 (2343 cm-1)與CO (2143 cm-1)。在使用325 nm的紫外光照射後則沒有產生反應。TCA在二氧化鈦表面上的反應與1H-1,2,4-triazole相似。

The adsorption, thermal reaction and photoreaction of 1H-1,2,4-triazole and its derivative of 1,2,4-triazole-3-carboxylic acid (TCA) on powdered TiO2 have been studied by using Fourier-transform infrared spectroscopy (FT-IR). 1H-1,2,4-triazole is molecularly adsorbed on TiO2 surface at 35 °C, with a hydrogen bond of N–H…O. The 1H-1,2,4-triazole is stable up to 250 °C. The triazole ring starts to decompose at ~300 °C, forming isocyanate (–NCO), carbodiimide (–NCNH) and azide (–N3). Besides –NCO and –N3, the 1H-1,2,4-triazole reacts to form formic acid (HCOOH), formate (HCOO), –NO, CO¬2 and CO in the presence of oxygen. There is no reaction when 1H-1,2,4-triazole/TiO2 is exposed to the ultraviolet light at 325 nm. The reaction behavior of TCA on the TiO2 surface is similar to 1H-1,2,4-triazole.

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