ArticleThe journal of physical chemistry. A2013
Simulations of the two-dimensional electronic spectroscopy of the photosystem II reaction center.
Article in The journal of physical chemistry. A, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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Who cites it
15 citing papers in PubMed.
- Excitonic Structure and Primary Charge Separation in Purple Bacterial and Heliobacterial Reaction Centers.Plants (Basel, Switzerland) · 2026Review
- High-Resolution Frequency-Domain Spectroscopic and Modeling Studies of Photosystem I (PSI), PSI Mutants and PSI Supercomplexes.International journal of molecular sciences · 2024Review
- Unraveling quantum coherences mediating primary charge transfer processes in photosystem II reaction center.Science advances · 2024Article
- Article
- Short-Range Effects in the Special Pair of Photosystem II Reaction Centers: The Nonconservative Nature of Circular Dichroism.The journal of physical chemistry letters · 2023Article
- Exact simulation of pigment-protein complexes unveils vibronic renormalization of electronic parameters in ultrafast spectroscopy.Nature communications · 2022Article
- How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center.Journal of chemical theory and computation · 2021Article
- Shedding Light on Primary Donors in Photosynthetic Reaction Centers.Frontiers in microbiology · 2021Review
- Protein Matrix Control of Reaction Center Excitation in Photosystem II.Journal of the American Chemical Society · 2020Article
- Primary Charge Separation in the Photosystem II Reaction Center Revealed by a Global Analysis of the Two-dimensional Electronic Spectra.Scientific reports · 2017Article
- Role of coherent vibrations in energy transfer and conversion in photosynthetic pigment-protein complexes.Photosynthesis research · 2016Review
- Optimal Energy Transfer in Light-Harvesting Systems.Molecules (Basel, Switzerland) · 2015Review
- Quantum Coherence in Photosynthesis for Efficient Solar Energy Conversion.Nature physics · 2014Article
- Vibronic coherence in oxygenic photosynthesis.Nature chemistry · 2014Article
- Dynamic protein conformations preferentially drive energy transfer along the active chain of the photosystem II reaction centre.Nature communications · 2014Article
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7 authors.
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Abstract
We report simulations of the two-dimensional electronic spectroscopy of the Q(y) band of the D1-D2-Cyt b559 photosystem II reaction center at 77 K. We base the simulations on an existing Hamiltonian that was derived by simultaneous fitting to a wide range of linear spectroscopic measurements and described within modified Redfield theory. The model obtains reasonable agreement with most aspects of the two-dimensional spectra, including the overall peak shapes and excited state absorption features. It does not reproduce the rapid equilibration from high energy to low energy excitonic states evident by a strong cross-peak below the diagonal. We explore modifications to the model to incorporate new structural data and improve agreement with the two-dimensional spectra. We find that strengthening the system-bath coupling and lowering the degree of disorder significantly improves agreement with the cross-peak feature, while lessening agreement with the relative diagonal/antidiagonal width of the 2D spectra. We conclude that two-dimensional electronic spectroscopy provides a sensitive test of excitonic models of the photosystem II reaction center and discuss avenues for further refinement of such models.
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