ArticleMolecules (Basel, Switzerland)2022
Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates.
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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3 citing papers in PubMed.
- Rationalising Exciton Interactions in Aggregates Based on the Transition Density.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- Localized and Excimer Triplet Electronic States of Naphthalene Dimers: A Computational Study.Molecules (Basel, Switzerland) · 2025Article
- Eclipsed and Twisted Excimers of Pyrene and 2-Azapyrene: How Nitrogen Substitution Impacts Excimer Emission.Molecules (Basel, Switzerland) · 2024Article
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5 authors.
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Abstract
Intermolecular interactions modulate the electro-optical properties of molecular materials and the nature of low-lying exciton states. Molecular materials composed by oligoacenes are extensively investigated for their semiconducting and optoelectronic properties. Here, we analyze the exciton states derived from time-dependent density functional theory (TDDFT) calculations for two oligoacene model aggregates: naphthalene and anthracene dimers. To unravel the role of inter-molecular interactions, a set of diabatic states is selected, chosen to coincide with local (
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