有机金属化合物中二次、三次力常数的计算  

THE CALCULATION OF THE QUADRATIC AND THE CUBIC FORCE CONSTANTS IN ORGANOMETALLIC COMPOUND

作　　者：段春生[1] 吴月顺[1] 

机构地区：[1]青岛大学师范学院化学系,青岛266071

出　　处：《青岛大学学报（自然科学版）》2000年第2期34-37,共4页Journal of Qingdao University(Natural Science Edition)

摘　　要：利用精确势函数（Morse法）函数及离子-偶极子俘获力场势函数法，分别在已知有机金属化合物电子转移波长及离解能和有机配体极化率、偶极距及其在重组态位矢的条件下，对该化合物二次、三次力进行了计算，并对两种计算方法进行了比较。On the condition of known electfon transfer wavelength dissociation energy,organic-ligand induction poltrizability dipole moment and position vector of reorganizationstate in organometallic compound, the quadratic and the cublc force constans were calculatedin the compounds by using accurate potental function method and ion-dipole capture forcefield potential function method. And the two methods were compared.

关 键 词：计算 力常数 有机金属化合物 二次力 三次力 

分 类 号：O627[理学—有机化学]