本篇論文是以程序控溫反應/脱附(temperature- programmed reaction/desorption, TPR/D）和反射吸收紅外光譜(reflection absorption infrared spectroscopy, RAIRS)探討超高真空系統中，ClCH2CN 在有氧原子吸附的Cu(100)表面上的熱化學和反應中間物。TPR/D的研究指出， ClCH2CN可能會被氧原子抓取一個H形成-ClCHCN，然後在207 K與H重新結合生成ClCH2CN後再從表面脫附。隨著單晶溫度的提昇也會有CH3CN、HCN、H2O、HNCO、CO、CO2和C2N2氣相產物的生成。RAIR的研究指出，於180 K可能有-CH2CN生成。在210-350 K 之間， -CH2CN可能會吸附在atop和bridge兩種不同的位置。當表面溫度上升至400-600 K後，可能有-NCO和-CHCN的物種在表面上生成。NCO會反應產生HNCO、CO和CO2，而CHCN則可能會斷裂CC鍵形成CN，並持續反應產生HCN或C2N2。

Temperature-programmed reaction/desorption (TPR/D) and reflection absorption infrared spectroscopy (RAIRS) have been employed to investigate the thermal reactions and surface intermediates of ClCH2CN on Cu(100) preadsorbed with oxygen atoms in an ultra-high vacuum system. The TPR/D study shows that the surface oxygen may abstract a hydrogen atom from ClCH2CN to form –ClCHCN. This intermediate can recombine with H to form ClCH2CN at a higher temperature (207 K) and desorb immediately. CH3CN, HCN, H2O, HNCO, CO, CO2 and C2N2 are the thermal reaction products of ClCH2CN on O/Cu(100). The RAIRS investigation shows that -CH2CN may be generated form at 180 K, The RAIRS investigation shows that -CH2CN may be generated form at 180 K, which is adsorbed at the atop or bridge sites. -NCO and -CHCN species are suggested to be formed on the surface when the surface temperature is further increased to 400-600 K. -NCO is the origin for the evolution of reaction products of HNCO CO and CO2 . CHCN might react by cleaving the C-C bond to form CN group, and finally leading to the formation of HCN and C2N2.

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