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Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism

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Abstract

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.

Graphical abstract: Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism

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Publication details

The article was received on 30 Mar 2018, accepted on 09 May 2018 and first published on 09 May 2018


Article type: Communication
DOI: 10.1039/C8CC02595A
Citation: Chem. Commun., 2018, Advance Article
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    Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism

    L. V. Ivanova, T. S. Navale, D. Wang, S. Lindeman, M. V. Ivanov and R. Rathore, Chem. Commun., 2018, Advance Article , DOI: 10.1039/C8CC02595A

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