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Revisiting the Role of Charge Transfer in the Emission Properties of Carborane–Fluorophore Systems: A TDDFT Investigation
[Image: see text] In this study, we performed a detailed investigation of the S(1) potential energy surface (PES) of o-carborane–anthracene (o-CB–Ant) with respect to the C–C bond length on o-CB and the dihedral angle between o-CB and Ant moieties. The effects of different substituents (F, Cl, CN, a...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9272399/ https://www.ncbi.nlm.nih.gov/pubmed/35658432 http://dx.doi.org/10.1021/acs.jpca.2c02435 |