Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates

Intermolecular Interactions and Charge Resonance Contributions to Triplet and Singlet Exciton States of Oligoacene Aggregates

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...

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Bibliographic Details
Main Authors: Yasi Dai, Alessandro Calzolari, Maria Zubiria-Ulacia, David Casanova, Fabrizia Negri
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Molecules
Subjects:
oligoacenes
exciton states
singlet states
triplet states
TDDFT
diabatization
Online Access:https://www.mdpi.com/1420-3049/28/1/119

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