本篇論文利用程序控溫反應/脫附(TPR/D)、反射式紅外光吸收光譜(RAIRS)和X-光電子電子能譜(XPS)在超高真空系統中(UHV)去分析並研究2,3-二氯吡嗪(2,3-dichloropyrazine)和2,6-二氯吡嗪(2,6-dichloropyrazine)在Cu(100)及O/Cu(100)上的熱反應。
120 K時的Cu(100)表面上，2,3-二氯吡嗪和2,6-二氯吡嗪會以N上的孤對電子和Cu作用並吸附，2,3-二氯吡嗪在約220時會開始斷C-Cl鍵，形成C4H2ClN2吸附於表面，C-Cl鍵在約470 K時斷光，形成中間物C4H2N2吸附於表面，最後在溫度達到570 K以上時，中間物分子會開始破環形成產物HCN、HCl脫附，並在更高溫約800 K之後產生C2N2脫附。
在氧預吸附的Cu(100)表面時，2,3-二氯吡嗪和2,6-二氯吡嗪同樣以N上的孤對電子和Cu作用並吸附，約240 K時，表面的氧原子會和C-H的氫原子形成OH吸附於表面，隨後馬上形成H2O的脫附，此時部分C-Cl也會開始斷裂，溫度大於530 K之後分子會破環並和表面的氧作用形成H2O、CO和CO2脫附，並在後續高溫出現HCN、N2、NO和C2N2等產物脫附。

Temperature-programmed reaction/desorption (TPR/D), reflection-absorption infrared spectroscopy (RAIRS) and X-ray photoelectron spectroscopy (XPS) have been used to investigate the adsorption and reactions of 2,3-dichloropyrazine (2,3-C4H2Cl2N2) and 2,6-dichloropyrazine (2,6-C4H2Cl2N2) on Cu(100) and oxygen-precovered Cu(100). Our results show that 2,3-C4H2Cl2N2 and 2,6-C4H2Cl2N2 are the predominant adsorbates on Cu(100) at 120 K. 2,3-C4H2Cl2N2 and 2,6-C4H2Cl2N2 undergo partial C-Cl bond scission at 220 K, forming the C4H2ClN2(a) intermediates. Upon heating to 470 K, all of the C-Cl bonds have broken to generate the intermediates of C4H2N2(a). At higher temperatures, further decomposition of the C4H2N2(a) occurs and generates reaction products of HCN, HCl and C2N2.On the surface of O/Cu(100), the presence of the preadsorbed oxygen promotes C-H bond cleavage to form OH(a) on the surface at a low temperature. By heating to 240 K, the OH groups undergo a disproportional reaction to envolve H2O. It’s also found that a portion of the adsorbates undergoes C-Cl dissociation at 250 K, forming C4HClN2 intermediate. After heating to 450 K, all the C-Cl bonds have broken, resulting in the formation of C4HxN2(a)(x=0~1) can be formed. This intermediate decomposes to form the desorption product of H2O, CO, CO2, NO and N2.

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