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.
出处
《高等学校化学学报》
SCIE
EI
CAS
CSCD
北大核心
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