ArticleThe journal of physical chemistry letters2019
Photoinduced Electron Transfer in Donor-Acceptor Complexes: Isotope Effect and Dynamic Symmetry Breaking.
Article in The journal of physical chemistry letters, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed.
- Biosensing of Steroid Hormones with 3D Zinc Oxide Tetrapods.ACS omega · 2026Article
- Symmetry Breaking of Electronic Structure upon the π→π* Excitation in Anthranilic Acid Homodimer.Molecules (Basel, Switzerland) · 2024Article
- Critical assessment of selenourea as an efficient small molecule fluorescence quenching probe to monitor protein dynamics.Chemical science · 2023Article
- Short-Range Charge Transfer in DNA Base Triplets: Real-Time Tracking of Coherent Fluctuation Electron Transfer.Molecules (Basel, Switzerland) · 2023Article
- On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitride.Chemical science · 2023Article
- Article
- Tuning the Proton-Coupled Electron-Transfer Rate by Ligand Modification in Catalyst-Dye Supramolecular Complexes for Photocatalytic Water Splitting.ChemSusChem · 2021Article
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Authors and funding
3 authors.
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Abstract
Electron-nuclear (vibronic) coupling has emerged as an important factor in determining the efficiency of energy transfer and charge separation in natural and artificial photosynthetic systems. Here we investigate the photoinduced charge-transfer process in a hydrogen-bonded donor-acceptor molecular complex. By using real-time quantum-classical simulations based on time-dependent Kohn-Sham equations, we follow in detail the relaxation from the Franck-Condon point to the region of strong nonadiabatic coupling where electron transfer occurs. We elucidate how the charge transfer is coupled to specific vibrational modes and how it is affected by isotope substitution. The importance of resonance in nuclear and electron dynamics and the role of dynamic symmetry breaking are emphasized. Using the dipole moment as a descriptive parameter, exchange of angular momentum between nuclear and electronic subsystems in an electron-nuclear resonant process is inferred. The performed simulations support a nonadiabatic conversion via adiabatic passage process that was recently put forward. These results are relevant in deriving rational design principles for solar-to-fuel conversion devices.
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