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  • Title: Simulation of the Two-Dimensional Electronic Spectroscopy and Energy Transfer Dynamics of Light-Harvesting Complex II at Ambient Temperature.
    Author: Leng X, Yan YM, Zhu RD, Song K, Weng YX, Shi Q.
    Journal: J Phys Chem B; 2018 May 03; 122(17):4642-4652. PubMed ID: 29613797.
    Abstract:
    We simulate the two-dimensional electronic spectra (2DES) of the light-harvesting complex II (LHCII) at room temperature by combining the hierarchical equations of motion method and the equation-of-motion phase-matching approach. The laser-excited population dynamics of LHCII is also calculated to help understanding the 2DES. Three different excitation schemes are studied, including (1) only the chlorophyll (Chl) b Q y states of LHCII are excited, (2) only the Chl a Q y states are excited, and (3) both the Chl b and Chl a states are excited. The energy transfer pathways and time scales revealed from the 2DES in schemes (1) and (2) agree with the recent experimental studies for the Chl b to Chl a energy transfer and the excitation energy relaxation process within the Chl a manifold. We also propose a different way to better present the signals of bottleneck states by investigating the diagonal peaks of the 2DES in scheme (3).
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