铜/硒二元团簇离子的形成和紫外光解  

Formation and Photodissociation of Copper-selenium Clusters

作　　者：陈云清[1] 邢小鹏[1] 高振[1] 朱起鹤[1] 

机构地区：[1]分子反应动力学国家重点实验室,中国科学院化学研究所分子科学中心,北京100080

出　　处：《高等学校化学学报》2002年第11期2147-2150,共4页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金 (批准号 :2 97730 5 4)资助

摘　　要：用串级飞行时间质谱仪结合激光直接溅射的方法产生了铜 /硒二元团簇正负离子 ,正离子主要系列为( Cu2 Se) n Cu+和 ( Cu2 Se) +n ,负离子主要系列为 ( Cu2 Se) n Cu Se- 和 ( Cu2 Se) n Se- ;研究了团簇正离子的紫外光解 .结果表明 ,光解产物主要是一级谱中丰度较大的一些离子 .用密度泛函方法 ( DFT)对 Cu3 Se- ,Cu3 Se+2 的稳定构型及光解通道进行了理论计算 ,解释了实验中观察到的现象 .The formation and photodissociation of Cu/Se binary clusters were studied on the laser ablation tandem time-of-flight mass spectrometer. It was found that the cations [Cu(Cu 2Se) n] + and [(Cu 2Se) n] +, the anions [CuSe(Cu 2Se)] -, [(Cu 2Se) nSe] - were the main products. In the photodissociation experiment of Cu nSe + m, [Cu(Cu 2Se) n] + and [(Cu 2Se) n] + were the main products. The structures and photodissociation channels of Cu 3Se +, Cu 5Se + 2 were studied by using a kind of 'DFT' method, in which the LANL2DZ basis was used.

关 键 词：铜/硒二元团簇离子 激光烧蚀 串级飞行时间质谱仪 紫外光解 密度泛函 

分 类 号：O644.1[理学—物理化学]