液相染料分子超快振动弛豫的理论研究  

A Theoretical Study on Ultrafast Vibrational Relaxation of Dye Molecule in Solution

作　　者：何勇[1] 熊轶嘉[1] 王朝晖[1] 朱起鹤[1] 孔繁敖[1] 

机构地区：[1]中国科学院化学研究所分子反应动力学国家重点实验室,北京100080

出　　处：《物理化学学报》1998年第2期115-120,共6页Acta Physico-Chimica Sinica

基　　金：中国博士后科学基金

摘　　要：采用微扰密度矩阵和瞬态线性极化率理论，自编计算机程序，模拟了液相LDS698染料分子第一激发电于态S1的飞秒受激辐射荧光亏蚀谱，初步定量地确定了该分子S1态的超快振动弛豫速率以及S1与S0态间的Huang－Rhys因子，通过理论分析确认，测量的受激辐射荧光亏蚀谱，前面一段快速增加的信号主要反映了S1态的超快振动弛豫过程，后一段慢增加的信号主要反映了激发态的溶剂化过程．Ultrafast vibrational relaxation dynamics of LDS698 dye molecule in solution aretheoretically studied on the basis of the perturbative density operator method and the transientlinear susceptibility theory. Femtosecond time-resolved profile on stimulated emission pumpingfluoresence depletion is simulated for the system with the single vibrational mode. The vibrationaltransition rate constant γ1→0 is 4.5 ps-1 ,the two constants C1 and k relating to the solvation are1.0 and 0.08ps-1 respectively. It is 2.4 for the Huang-Rhy factor S between the first excited S1state and the ground S0 state. The SEP signal reveals that the fast and the slow decay componentsreflect the vibrational relaxation and the excited state solvation of the molecule respectively .

关 键 词：LDS698 染料分子 超快振动弛豫 受激辐射 激发态 

分 类 号：TQ610.1[化学工程—精细化工]