基于粒子群算法的水·苯并咪唑的已二酸铜及其丁二酸铜的磁性研究

• 作 者: 吕慧 姚尚锋
• 机 构: 蚌埠坦克学院数理室,
• 出 处: 化学研究与应用
• 发表日期: 2009年08期
• 关键词: 粒子群算法 变温磁化率 Cu(C6H8O4)(C7H6N2)2H2O]∞ [Cu(C4H4O4)(C7H6N2)2 H2O]∞ 超交换耦合

In order to investigate the Magnetic Behavior of Compounds,the Variable —temperature magnetic susceptibility data of the title compounds(I:[Cu(C6H8O4)(C7H6N2)2H2O]∞) and(II:[Cu(C4H4O4)(C7H6N2)2 H2O]∞) were recorded and discussed quantitatively based on to Ising’s model and particle swarm optimization(PSO).J≈-1.3cm-1,which shows that there is a weak interaction between two Cu(II) ions in the title compounds.It can be interpreted with Kahn’s approximate molecular orbital model.Room-temperature magnetic moment(2.150μB) is larger than pure-spin magnetic moment(1.732μB) and g is larger than ge(2.002),which comfirms the existence of spin-orbit coupling in the compounds.

In order to investigate the Magnetic Behavior of Compounds, the Variable-temperature susceptibility data of the title compounds (I: [Cu (C6H8O4) (C7H6N2) 2H2O] ∞) and (II: [Cu (C4H4O4) (C7H6N2) ] ∞) were recorded and discussed quantitatively based on to Ising’s model and particle swarm optimization (PSO) .J≈-1.3cm-1, which shows that there is a weak interaction between the two Cu (II) ions in the title compounds.It can be interpreted with Kahn’s approximate molecular orbital model. Room-temperature magnetic moment (2.150 μB) is larger than pure-spin magnetic moment (1.732 μB) and g is larger than ge (2.002), which comfirms the existence of spin-orbit coupling in the compounds.