酞菁铜分子的电子态和反饱和吸收  

The Electronic States and Reverse Saturable Absorption of Copper Phthalocyanine Molecule

作　　者：李君[1] 封继康[1] 孙家钟[1] 王惠[2] 李淳飞[2] 

机构地区：[1]吉林大学化学系,理论化学研究所长春130021 [2]哈尔滨工业大学物理系,哈尔滨150006

出　　处：《化学学报》1994年第4期325-330,共6页Acta Chimica Sinica

基　　金：国家自然科学基金;吉林大学分子光谱与分子结构开放实验室资助的项目

摘　　要：用ROHF-INDO/SDCI方法结合实验研究了酞菁铜分子的电子结构、紫外-可见光谱、激发态分子动态学和反饱和吸收的微观机制. 对酞菁铜实现反饱和吸收的必要条件是最低四重态对激光的吸收截面必须大于基态对激光的吸收截面.在波长为532nm的激光作用下,该条件得到了满足,故CuPc呈现反饱和吸收特征.理论分析与实验结果一致.The electronic structure, UV-visible spectrum, excited states molecular dynamics and micro-mechanism of reverse saturable absorption copper phthalocyanine molecule have been studied by using ROHF-INDO / SDCI method associated with experiment.The conclusion is that the necessary condition of reverse saturable absorption of copper phthalocyanine is the lowest quadruple state absorption cross section must be larger than the ground state absorption cross section for Laser. This condition is satisfied when the wave length of incident Laser is equal 532nm for CuPc, so the character of reverse saturable absorption appears. The theoretical analyses are consistent with experimental results.

关 键 词：酞菁铜 激发态 反饱和吸收 电子态 

分 类 号：O627.12[理学—有机化学]