吸收型自由基三重态对的电子极化强度理论计算

Theoretical calculation of absorptive CIDEP of doublet-triplet pairs

激光照射荧光蒽 /氮氧自由基 /苯体系可得到氮氧自由基的A +A/E吸收型CIDEP信号 ,以自由基与三重态分子相互作用为模型 ,以自由基 三重态对的二重自旋态优先等量布居为初始条件 ,用二阶微扰理论和密矩阵运动方程计算了该体系的CIDEP。

A+A/E pattern CIDEP of TEMPO was obtained after laser irradiation of fluoranthene/TEMPO/benzene system. Using the interaction model of excited triplet molecule and doublet rdical, considering the equal population of the doublet spin states of the radical triplet pairs as initial condition, employing the second order perturbation theory and the motion equation of density matrix, the radical spin polarization of the system was theoretically calculated.