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Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yields
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A correlation between the fluorescence quantum yields and the energy barrier to the conical intersection region was discovered for five small PAHs.
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The magnitude of vibronic interactions approaches infinity at the CI, where the S1 and S0 degenerate, from which the excitons decay nonradiatively.
“The magnitude of vibronic interactions approaches infinity at the CI, where the S1 and S0 degenerate, from which the excitons decay nonradiatively.”
From The Pursuit of Shortwave Infrared-Emitting Nanoparticles with Bright Fluorescence through Molecular Design and Excited-State Engineering of Molecular Aggregates (2022) · cites this paper as [135]
The Introduction describes S1/S0 conical intersections and says that an accessible CI region can enable ultrafast nonradiative decay. The Results and discussion likewise describes decay via a CI region. Neither section says that vibronic interactions approach infinity at the CI; the paper's mention of weak vibronic coupling concerns the S1 local minimum, not the CI. (LLM, conf=0.87)
Experimental — accuracy not yet measuredThe current paradigm in photochemistry points out that nonradiative deactivation from the excited-state molecules involves a conical intersection (CI).
“The current paradigm in photochemistry (unreasonably overlooked in the materials science community) points out that nonradiative deactivation from the excited-state molecules involves a conical intersection (CI).134−139”
From The Pursuit of Shortwave Infrared-Emitting Nanoparticles with Bright Fluorescence through Molecular Design and Excited-State Engineering of Molecular Aggregates (2022) · cites this paper as [135]
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Research works printed but not linked: 1
- S. Maeda , Y.Osada, Y.Harabuchi, T.Taketsugu, K.Morokuma and K.Ohno, GRRM, a developmental version, Hokkaido University, Sapporo, 2015
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Piwoński, H., Nozue, S., & Habuchi, S. (2022) · ACS Nanoscience Au · doi:10.1021/acsnanoscienceau.1c00038 · Cited by 39
Metadata
- Authors
- Harabuchi, Y., Taketsugu, T., & Maeda, S.
- Affiliations
- Hokkaido University (JP)
- Corresponding author
- Maeda, Satoshi
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2015
- Volume
- 17
- Issue
- 35
- Pages
- 22561-22565
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W1860669030
- Cited by
- 68
- References
- 41
- Citations by year
- 2026: 3 · 2025: 7 · 2024: 5 · 2023: 5 · 2022: 7 · 2021: 7 · 2020: 6 · 2019: 8 · 2018: 7 · 2017: 4 · 2016: 9
- FWCI
- 4.55
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- cc-by
- Locations
- Physical Chemistry Chemical Physics (publishedVersion, cc-by)
- PubMed (publishedVersion)
- Funders
- Japan Science and Technology Agency (CREST)
- Topics
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Photochemistry and Electron Transfer Studies
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Keywords
- conical intersections, polycyclic aromatic hydrocarbons, fluorescence quantum yield, size effect, energy barrier, excited-state geometry
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