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| 分子聚集体的光谱模拟 | |
| 引用本文： | 李凯,韩蛟,张厚玉,张汉壮.分子聚集体的光谱模拟[J].高等学校化学学报,2011,32(12):2872-2876. |
| 作者姓名： | 李凯 韩蛟 张厚玉 张汉壮 |
| 作者单位： | 1. 吉林大学超分子结构与材料国家重点实验室;物理学院,长春130012 2. 吉林大学超分子结构与材料国家重点实验室 3. 物理学院,长春,130012 |
| 摘 要： | 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... |
| 关 键 词： | 分子聚集体 吸收和发射光谱 Frenkel激子 激子离域长度 |
| 收稿时间： | 2011-04-08 |
Simulations of Spectra of Molecular Aggregates |
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| LI Kai,HAN Jiao,ZHANG Hou-Yu,ABRAMAVICIUS Darius,ZHANG Han-Zhuang.Simulations of Spectra of Molecular Aggregates[J].Chemical Research In Chinese Universities,2011,32(12):2872-2876. | |
| Authors: | LI Kai HAN Jiao ZHANG Hou-Yu ABRAMAVICIUS Darius ZHANG Han-Zhuang |
| Institution: | 1. State Key Laboratory of Supramolecular Structure and Materials, 2. College of Physics, Jilin University, Changchun 130012, China |
| Abstract: | The absorption and emission spectra of one-dimensional linear aggregates and two-dimensional herringbone aggregates were investigated via Frenkel exciton model. The introduction of the exciton delocalization length bridges a link between spectral lineshape fuctions of molecular aggregates and single molecule. The results show that the spectra of molecular aggregates are closely dependent on the molecular alignment. The red\|shift absorption in linear J aggregates and splitting of J and H bands in herringbone aggregates are analyzed. The simulated absorption and emission spectra are in consistent with experimental results. |
| Keywords: | Molecular aggregate Absorption and emission spectrum Frenkel exciton Exciton delocalization length |
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