C_（60）的激发态光谱S_1→S_n，T_1→T_n与反饱和吸收  

The Excited-States Spectra(S_1→S_n,T_1→T_n) and Reverse Saturable Absorption of C_(60)

作　　者：封继康[1] 李君[1] 费浩生[1] 车彦龙 孙家钟[1] 

机构地区：[1]吉林大学化学系

出　　处：《高等学校化学学报》1995年第2期279-283,共5页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金;吉林大学理论化学计算国家重点实验室资助;吉林大学分子光谱与分子结构开放实验室资助

摘　　要：用ＩＮＤＯ／ＣＩ方法研究了Ｃ６０分子的电子结构及基态和激发态光谱（Ｓ０→Ｓｎ，Ｓ１→Ｓｎ，Ｔ１→Ｔｎ）、激发态分子动态学和反饱和吸收的微观机制。用动态模型解速率方程。实现反饱和吸收的必要条件是激发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５３２ｎｍ的激光作用下，Ｃ６０满足该条件，故Ｃ６０呈现反饱合吸收特征，理论分析与实验结果一致。The electronic structure,ground and excited-states spectra (S0→Sn,S1→Sn,T1→Tn),excited-state molecular dynamics and micromechanism of reverse saturable absorption of C60 molecule were studied by using INDO/CI method.A dynamic model has been used for resolving rate equations.It is concluded that the necessary condition of reverse saturable absorption is the absorption cross section of exited state must be larger than that of ground state for LASER.This condition is satisfied when the wavelength of incident LASER is equal to 532 nm for C60,so the character of reverse saturable absorption appears.

关 键 词：激发态 反饱和吸收 碳60 INDO/CI法 

分 类 号：O613.71[理学—无机化学]