铁磷团簇离子的稳定性研究

Studies on the Stability of Iron Phosphide Cluster Ions

用激光蒸发方法产生大量的ＦｅｘＰ＾＋ｙ，通过对其形成过程和稳定性的研究，确定了主要的气相反应方程式为Ｐｘ＋Ｆｅ＾＋ｘ→ＦｅｘＰ＾＋ｙ＋Ｐｚ－ｙ。结合理论计算获得和团簇离子电子占有态的结构。解释了团簇离子质谱中奇偶性产生的原因。

The formation and stability of FexPy+ cluster ion produced by laser ablation were investigated.The gas-phase reaction equation in the formation of these cluster ions is Pz+ Fex+→FexPy+ +Pz-y. And the odd-even variation related to the number of P atom in mass spectrum was explained with the calculation of the electronic occupied state in the cluster ions in which the electronic structure of transition metal dominates the bonding in cluster ions, and the higher ionization energy of even cluster ions results in removing easily electrons from the single electron occupied states of cluster ions.