Prokhorov General Physics Institute of the Russian Academy of Sciences, 119991 Moscow, Russia.
Bach Institute of Biochemistry of the Russian Academy of Sciences, 119071 Moscow, Russia.
Molecules. 2019 Feb 25;24(4):822. doi: 10.3390/molecules24040822.
Based on single molecule spectroscopy analysis and our preliminary theoretical studies, the linear and fluorescence spectra of the PSI trimer from with different realizations of the static disorder were modeled at cryogenic temperature. Considering the previously calculated spectral density of chlorophyll, an exciton model for the PSI monomer and trimer including the red antenna states was developed taking into account the supposed similarity of PSI antenna structures from , , and . The red Chls in the PSI monomer were assumed to be in the nearest proximity of the reaction center. The PSI trimer model allowed the simulation of experimentally measured zero phonon line distribution of the red states considering a weak electron-phonon coupling for the antenna exciton states. However, the broad absorption and fluorescence spectra of an individual emitter at 760 nm were calculated by adjusting the Huang-Rhys factors of the chlorophyll lower phonon modes assuming strong electron-phonon coupling.
基于单分子光谱分析和我们的初步理论研究，对不同静态无序实现的 中 PSI 三聚体在低温下的线性和荧光光谱进行了建模。考虑到先前计算的叶绿素光谱密度，开发了一个用于 PSI 单体和三聚体的激子模型，其中包括红色天线态，同时考虑了来自 、 和 的 PSI 天线结构的假定相似性。假设 PSI 单体中的红色 Chls 与反应中心最接近。PSI 三聚体模型允许模拟实验测量的红色态零声子线分布，同时考虑到天线激子态的弱电子-声子耦合。然而，通过调整叶绿素低声子模式的黄-里斯因子，假设强电子-声子耦合，计算了单个发射器在 760nm 处的宽吸收和荧光光谱。
