Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism
| Autor: | Denan Wang, Maxim V. Ivanov, Tushar S. Navale, Rajendra Rathore, Sergey V. Lindeman, Lena V. Ivanova |
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| Rok vydání: | 2018 |
| Předmět: |
Materials science
010405 organic chemistry Metals and Alloys Rational design General Chemistry Dihedral angle 010402 general chemistry Condensed Matter::Disordered Systems and Neural Networks 01 natural sciences Catalysis 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Electroactive materials Delocalized electron Chemical physics Physics::Atomic and Molecular Clusters Materials Chemistry Ceramics and Composites Invariant (mathematics) |
| Zdroj: | Chemical Communications. 54:5851-5854 |
| ISSN: | 1364-548X 1359-7345 |
| DOI: | 10.1039/c8cc02595a |
| Popis: | Biaryl cation radicals are important electroactive materials, which show two mechanisms of hole delocalization: static delocalization at small interplanar dihedral angles and dynamic hopping at larger angles, reflecting the interplay between electronic coupling and structural reorganization. Herein, we describe the rational design of biaryls possessing an invariant hole delocalization mechanism. |
| Databáze: | OpenAIRE |
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