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- Title
Hierarchical Equations of Motion Simulation of Temperature‐Dependent Two‐Dimensional Electronic Spectroscopy of the Chlorophyll a Manifold in LHCII.
- Authors
Leng, Xuan; Do, Thanh Nhut; Akhtar, Parveen; Nguyen, Hoang Long; Lambrev, Petar H.; Tan, Howe‐Siang
- Abstract
We simulated two‐dimensional electronic spectra (2DES) of the chlorophyll a manifold of light‐harvesting complex II (LHCII) at various temperatures (77, 110, 150, 190, 230, 273, and 293 K) using the hierarchical equations of the motion‐phase matching approach. We confirm the main excitation energy transfer pathways assignments within the chlorophyll a manifold of LHCII measured in a recent work (J. Phys. Chem. B 2019, 123, 6765–6775). The calculated transfer rates are also in general agreement with the measured rates. We also provided theoretical confirmation for the experimental assignments, as uphill and downhill energy transfer processes, of 2D spectral features that were reported in recent experimental reports. These temperature‐dependent features were also ascertained to follow the detailed‐balance principle.
- Subjects
CHLOROPHYLL; CHLOROPHYLL spectra; ELECTRONIC spectra; ENERGY transfer; MANIFOLDS (Mathematics); SPECTROMETRY
- Publication
Chemistry - An Asian Journal, 2020, Vol 15, Issue 13, p1996
- ISSN
1861-4728
- Publication type
Article
- DOI
10.1002/asia.202000467