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  

Magnetic behavior investigation of [Cu(C_6H_8O_4)(C_7H_6N_2)_2H_2O]∞ and [Cu(C_4H_4O_4)(C_7H_6N_2)_2 H_2O]_∞ based on particle swarm optimization

作　　者：吕慧[1] 姚尚锋[1] 

机构地区：[1]蚌埠坦克学院数理室,安徽蚌埠233050

出　　处：《化学研究与应用》2009年第8期1181-1185,共5页Chemical Research and Application

摘　　要：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 magnetic susceptibility data of the title compounds （ I： [Cu（C6H8O4）（C7H6N2）2H2O]∞） and （ II ：[Cu（C4H4O4）（C7H6N2）2H2O]∞ ） 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. 150μs） is larger than pure-spin magnetic moment（ 1. 732μs） and g is larger than ge （2.002）, which comfirms the existence of spin-orbit coupling in the compounds.

关 键 词：粒子群算法 变温磁化率 Cu(C6H8O4)(C7H6N2)2H2O]∞ [Cu(C4H4O4)(C7H6N2)2H2O]∞ 超交换耦合 

分 类 号：O646.8[理学—物理化学]