【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 .更多还原

【Abstract】 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.更多还原