Theory of Anisotropic Circular Dichroism of Excitonically Coupled Systems: Application to the Baseplate of Green Sulfur Bacteria,The Journal of Physical Chemistry B

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Theory of Anisotropic Circular Dichroism of Excitonically Coupled Systems: Application to the Baseplate of Green Sulfur Bacteria
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2018-02-08 00:00:00 , DOI: 10.1021/acs.jpcb.7b12832
Dominik Lindorfer ₁ , Thomas Renger ₁

Affiliation

A simple exciton theory for the description of anisotropic circular dichroism (ACD) spectra of multichromophoric systems is presented that is expected to be of general use for the analysis of structure–function relationships of molecular aggregates such as photosynthetic light-harvesting antennae. The theory is applied to the baseplate of green sulfur bacteria. It is demonstrated that only the combined analysis of ACD and circular dichroism (CD) spectra for the present baseplate bacteriochlorophyll (BChl) a dimer allows for an unambiguous determination of the parameters of the exciton Hamiltonian from experimental data. The analysis of experimental absorption and linear dichroism spectra suggests that either the NMR structure has to be refined or in addition to the dimers seen in the NMR structure and in the CD and ACD spectra, BChl a monomers are present in the baseplate carotenosome sample. A refined dimer structure is presented, explaining all four optical spectra.

中文翻译：

激耦合系统的各向异性圆二色性理论：在绿色硫细菌底板上的应用

提出了一种用于描述多发色体系的各向异性圆二向色性（ACD）光谱的简单激子理论，该理论有望普遍用于分析分子集合体（如光合光捕获天线）的结构-功能关系。该理论适用于绿色硫细菌的底板。结果表明，仅对本底板细菌叶绿素（BChl）a的ACD和圆二色性（CD）光谱进行组合分析二聚体可以根据实验数据明确确定激子哈密顿量的参数。实验吸收和线性二色光谱的分析表明，无论是NMR结构具有待精炼或除了在NMR结构，并在CD和ACD光谱观察到的二聚体，BCHL一个单体存在底板carotenosome样本。提出了一种精制的二聚体结构，解释了所有四个光谱。

更新日期：2018-02-08

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