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Effects of Intramolecular Vibrations on Excitation Energy Transfer Dynamics of the Fenna-Matthews-Olson Complex
Chemical Physics ( IF 2.3 ) Pub Date : 2020-08-02 , DOI: 10.1016/j.chemphys.2020.110940
Yoshihiro Sato , Adrián Navarro Hernández , Lawson D. Gillespie , Daniel Valete

The role of vibrational coherence in photosynthetic pigment-proteins has been controversial. The present article investigates theoretically how the intramolecular vibrations of bacteriochlorophyll (BChl) influence the excitation energy transfer (EET) dynamics in the Fenna-Matthews-Olson complex (FMO). To this end, we use an exciton model incorporating recent experimental data and treat the vibrations as both coherent and incoherent. We simulate the transfer phenomena numerically with non-Markovian quantum dynamics. Our results at 300 K indicate that incoherent vibrations can moderately improve the efficiency of EET between FMO and a reaction center. With a vibronic model, we show that the coherent vibrations in either strongly or resonantly coupled BChl pairs can generate characteristic oscillations in their electronic populations which persist for several picoseconds even at 300 K. Despite such robust coherences, no significant improvement in the efficiency of EET is observed.



中文翻译:

分子内振动对Fenna-Matthews-Olson复合物的激发能传递动力学的影响

振动相干在光合色素蛋白中的作用一直存在争议。本文从理论上研究了细菌叶绿素的分子内振动(BChl)如何影响Fenna-Matthews-Olson络合物(FMO)中的激发能传递(EET)动力学。为此,我们使用包含最新实验数据的激子模型,并将振动视为相干和非相干。我们用非马尔可夫量子动力学数值模拟了转移现象。我们在300 K下的结果表明,非相干振动可以适度提高FMO和反应中心之间的EET效率。有了振动模型,

更新日期:2020-08-28
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