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角度重迭模型的应用(Ⅰ)
引用本文:杨林.角度重迭模型的应用(Ⅰ)[J].河南师范大学学报(自然科学版),1987(1).
作者姓名:杨林
作者单位:河南师范大学化学系
摘    要:本文依据角度重迭模型的基本原理,首先计算了d过渡系金属离子与单齿配体形成的不同构型配合物的d~*轨道能量:接着,为了使参数单一化,将配体分为三类,计算了各类配合物的d~*轨道能量。得到了一套非常实用的数据。

关 键 词:角度重迭模型  应用  各种构型配合物  d~*轨道能量  能级计算

APPLICATION OF ANGULAR OVERLAP MODEL
Yong Lin.APPLICATION OF ANGULAR OVERLAP MODEL[J].Journal of Henan Normal University(Natural Science),1987(1).
Authors:Yong Lin
Abstract:In this paper, the d~*—orbital energies of various geometric complexes which are formed by the d—trnsition metals and the non—chelate ligands are first calculated according to the basic Principles of the angular overlap model. Then the ligands are divided into three kinds and the d~*—orbital energy of each kind is cal-lculated so as to make the parameters unitary. A set of very practical data have been obtained.
Keywords:angular overlap model  application  various geometric complexes  d(?)-obtial energy  energy calculation
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