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采用Frenkel激子理论研究了一维线性和二维人字形分子聚集体的吸收和发射光谱.通过引入激子离域长度的概念,将聚集体与单分子的光谱线形函数联系起来.计算的光谱结果表明,聚集体的光谱与分子在聚集体中的排列紧密相关.分析了一维J聚集光谱发生红移以及二维人字形分子聚集体吸收光谱形成J和H激子谱带的内在原因.模拟得到的聚集体的吸收和发射光谱与实验结果一致.
The absorption and emission spectra of one-dimensional linear and two-dimensional chevron molecular aggregates are studied by the Frenkel exciton theory. By introducing the concept of exciton delocalization length, the aggregates are related to the spectral linear functions of single molecules. The calculated spectra The results show that the spectra of the aggregates are closely related to the arrangement of the molecules in the aggregates, and the intrinsic causes of J and H exciton bands formed by redshift of one-dimensional J-aggregated spectra and absorption spectra of two-dimensional chevron shaped aggregates are analyzed. The simulated absorption and emission spectra of the aggregates are consistent with the experimental results.