卟啉镍的电子结构及三阶非线性光学性质

Electronic Structures and Nonlinear Third-Order Optical Properties of Ni-Porphyrin

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 nonlinear third-order optical susceptibility γof Ni-porphyrin were studied.It can be concluded that in this compound the contribution of Ni2+ ion to γis very littles the contribution of porphyrin ring to γ is the dominant one and the nonlinear third-order optical susceptibility will increase exponentially with the increase of the number of conjugated bonds of ligands in the complex.