铜/硒二元团簇离子的形成和紫外光解

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(Cu₂Se)_nCu⁺和(Cu₂Se)_n⁺,负离子主要系列为(Cu₂Se)_nCuSe^-和(Cu₂Se)_nSe^-;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Cu₃Se^-,Cu₃Se₂⁺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.

Formation and Photodissociation of Copper-selenium Clusters

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.