ArticleJACS Au2022
Ultrafast Intersystem Crossing Dynamics of 6-Selenoguanine in Water.
Article in JACS Au, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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Who cites it
11 citing papers in PubMed, 30 citations in OpenAlex.
- A QM/MM study on triplet decay of 6-thioguanine and 6-selenoguanine with explicit solvent.Journal of molecular modeling · 2026Article
- Photorelaxation via Water-Mediated Electron Transfer in Fully Solvated Heptazine.The journal of physical chemistry letters · 2025Article
- Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics.The journal of physical chemistry. A · 2025Review
- Aggregation Induced Effects on the Nonradiative Recombination Dynamics of Inverted Singlet-Triplet Heptazine-Based Materials.The journal of physical chemistry. A · 2025Article
- Simulating the Energy Capture Process in Push-Pull Norbornadiene-Quadricyclane Photoswitches.The journal of physical chemistry letters · 2025Article
- Parametrization of Linear Vibronic Coupling Models for Degenerate Electronic States.The journal of physical chemistry. A · 2025Article
- Unexpected longer TPhysical chemistry chemical physics : PCCP · 2024Article
- Synthesis of 6-Selanyl-2-triazolylpurine Derivatives Using 2,6-Bistriazolylpurines as Starting Materials.ACS omega · 2024Article
- Role of Ultrafast Internal Conversion and Intersystem Crossing in the Nonadiabatic Relaxation Dynamics ofThe journal of physical chemistry. A · 2023Article
- Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods.The journal of physical chemistry letters · 2023Article
- Sulphur- and Selenium-for-Oxygen Replacement as a Strategy to Obtain Dual Type I/Type II Photosensitizers for Photodynamic Therapy.Molecules (Basel, Switzerland) · 2023Article
Corrections and comments
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Authors and funding
5 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Rationalizing the photochemistry of nucleobases where an oxygen is replaced by a heavier atom is essential for applications that exploit near-unity triplet quantum yields. Herein, we report on the ultrafast excited-state deactivation mechanism of 6-selenoguanine (6SeGua) in water by combining nonadiabatic trajectory surface-hopping dynamics with an electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) scheme. We find that the predominant relaxation mechanism after irradiation starts on the bright singlet S
Identifiers
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.