Cu^(2+)∶C_8N_(14)O_6Zn的局域结构、吸收光谱和电子顺磁共振谱的研究  

Investigation on the Local Structure,Optical Absorption Spectra and EPR Spectra for Cu^(2+)∶C_8N_(14)O_6Zn

作　　者：彭松山[1] 陈太红[1] 谌家军[1] 

机构地区：[1]西华师范大学物理与电子信息学院,南充637002

出　　处：《硅酸盐通报》2008年第4期725-729,共5页Bulletin of the Chinese Ceramic Society

基　　金：四川省教育厅青年科研基金(2006B041);四川省教育厅重点项目基金(2006C022)资助项目

摘　　要：在晶体场理论的基础上,本文采用半自洽3d轨道模型和3d9电子组态在畸变晶场中的g因子和超精细结构常数A的三阶微扰计算公式,建立了Cu2+∶C8N14O6Zn局域结构与吸收光谱、EPR谱之间的定量关系,统一解释了Cu2+∶C8N14O6Zn晶体的吸收光谱和EPR谱,理论结果与实验观测值相符合。Based on the crystal field theory, by utilizing the Zhao＇s Semi-SCF 3d-orbit model and third- order perturbation g factor and A formula of the 3d^9 electronic configuration in the distorted crystal field, the quantificational relationship between the crystal local structure structural, the optical absorption spectra and the electron paramagnetic resonance （EPR） is established. The optical absorption spectra and the electron paramagnetic resonance（EPR）for Cu^2＋：C8N14O6Zn are explained uniformly in this paper. The theoretical calculations agree with the experiment findings well.

关 键 词：晶体场 电子顺磁共振谱(EPR) 吸收光谱 Cu^2+:C8N14O6Zn 

分 类 号：O737[理学—晶体学]