ArticlePhotosynthesis research2018
The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria.
Article in Photosynthesis research, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.
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Who cites it
37 citing papers in PubMed.
- Perfluorocubane as a σ* orbital-based electron acceptor beyond classical electron-transfer models.Nature communications · 2026Article
- On the Design of Steep Optical Absorbers for Vacuum-Processed Organic Solar Cells: One Isopropyl Group Makes the Difference.Small science · 2026Article
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- Diabatization with Electrostatic Embedding for Studying Photophysics in Organic Molecular Crystals.Journal of chemical theory and computation · 2026Article
- Vibronically assisted sub-cycle charge transfer at a non-fullerene acceptor heterojunction.Nature communications · 2026Article
- Two solutions for efficient light-harvesting in phototrophicmSystems · 2026Article
- Structural determinants for red-shifted absorption in higher-plants Photosystem I.The New phytologist · 2025Article
- Significant Effects of Excitonic Coupling and Charge Transfer on the Circular Dichroism Spectrum of Photosynthetic Light-Harvesting I Complex.The journal of physical chemistry. B · 2025Article
- Size-Transferable Prediction of Excited State Properties for Molecular Assemblies with a Machine Learning Exciton Model.The journal of physical chemistry letters · 2025Article
- Article
- Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I Complex.ACS physical chemistry Au · 2024Article
- Combined Multireference-Multiscale Approach to the Description of Photosynthetic Reaction Centers.Journal of chemical theory and computation · 2024Article
- Excitation landscape of the CP43 photosynthetic antenna complex from multiscale simulations.Chemical science · 2024Article
- Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission.Molecules (Basel, Switzerland) · 2024Article
- Environment-dependent chlorophyll-chlorophyll charge transfer states in Lhca4 pigment-protein complex.Frontiers in plant science · 2024Article
- 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
- Molecular analyses of zebrafish V0v spinal interneurons and identification of transcriptional regulators downstream of Evx1 and Evx2 in these cells.Neural development · 2023Article
- Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I.The journal of physical chemistry letters · 2023Article
- How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses.Journal of the American Chemical Society · 2023Article
- Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex.Photosynthesis research · 2023Article
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Authors and funding
6 authors.
Funding
Abstract
The LH2 antenna complexes of purple bacteria occur, depending on light conditions, in various different spectroscopic forms, with a similar structure but different absorption spectra. The differences are related to point changes in the primary amino acid sequence, but the molecular-level relationship between these changes and the resulting spectrum is still not well understood. We undertook a systematic quantum chemical analysis of all the main factors that contribute to the exciton structure, looking at how the environment modulates site energies and couplings in the B800-850 and B800-820 spectroscopic forms of LH2. A multiscale approach combining quantum chemistry and an atomistic classical embedding has been used where mutual polarization effects between the two parts are taken into account. We find that the loss of hydrogen bonds following amino acid changes can only explain a part of the observed blue-shift in the B850 band. The coupling of excitonic states to charge-transfer states, which is different in the two forms, contributes with a similar amount to the overall blue-shift.
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