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用INDO/SDCI法研完了卟啉镍的电子结构、UV光谱和三阶非线性光学系数γ,发现该化合物中镍离子对γ的贡献很小,而卟啉环对γ的贡献则是主要的,且三阶非线性极化系数随配体共轭键数目的增加成指数增长.
The electronic structure, UV spectrum and third-order nonlinear optical coefficient γ of porphyrin nickel were studied by INDO / SDCI method. It was found that the nickel ion in the compound contributed very little to γ, while the contribution of porphyrin ring to γ was the main one. And the third-order nonlinear polarizability increases exponentially with the increase of the number of conjugated ligands.