摘要
用3d轨道径向标度理论解释了一系列铜（Ⅱ）-氨基酸配合物的晶体光谱，并根据配位环境的不同，找出了表征配位情况的参量——非自由度与径向波函数的系数、径向波函数指数因子、旋-轨耦合常数、平均偶极矩和d－d谱的重心位置的关系，对其光谱序列作了理论解释。为今后预测配合物的配住环境提供了一种简便方法，即根据配合物电子吸收光谱的重心位置来预知其大致结构。
The elctronic absorption spectrun of a series of mixed coordinated crystal of Copper(Ⅱ)-Amino Acid Compound were interpreted using the 3d-Orbital Radial Scaling Theory. The calculation results are in good agreement with experiment values though only one adjustable parameter. The ru1es of crystal parameters varing with the scale of nonfreedom were found out. Spectrum series were theoretically interpreted as well. The surroundings of the central ions were simply forecast in accordance with the electronic spectrum and the scale of nonfreedom.
关键词
金属酶
铜
氨基酸
配合物
电子结构
copper(Ⅱ)-amino acid compound, electronic structure, radial scaling theory,spectrum interpretations
