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New Light on an Old Story: Breaking Kasha’s Rule in Phosphorescence Mechanism of Organic Boron Compounds and Molecule Design
In this work, the phosphorescence mechanism of (E)-3-(((4-nitrophenyl)imino)methyl)-2H-thiochroman-4-olate-BF2 compound (S-BF2) is investigated theoretically. The phosphorescence of S-BF2 has been reassigned to the second triplet state ([Formula: see text]) by the density matrix renormalization grou...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8776103/ https://www.ncbi.nlm.nih.gov/pubmed/35055059 http://dx.doi.org/10.3390/ijms23020876 |