ArticleMolecules (Basel, Switzerland)2024
Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission.
Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Steric Control of Molecular Packing Governs Excimer Emission in Fluorene-Based Molecular Solids.Chemistry of materials : a publication of the American Chemical Society · 2026Article
- On the Potential Energy Surface of the Pyrene Dimer.International journal of molecular sciences · 2024Article
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Authors and funding
3 authors.
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Abstract
Due to their unique photophysical and electronic properties, pyrene and its analogues have been the subject of extensive research in recent decades. The propensity of pyrene and its derivatives to form excimers has found wide application in various fields. Nitrogen-substituted pyrene derivatives display similar photophysical properties, but for them, excimer emission has not been reported to date. Here, we use time-dependent density functional theory (TD-DFT) calculations to investigate the low-lying exciton states of dimers of pyrene and 2-azapyrene. The excimer equilibrium structures are determined and the contribution of charge transfer (
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