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

Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism.
Chem Commun (Camb). 2018 May 17;:
Authors: Ivanova LV, Navale TS, Wang D, Lindeman S, Ivanov MV, Rathore R
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.
PMID: 29770400 [PubMed - as supplied by publisher]

Source: Chemical Communications - May 17, 2018 Category: Chemistry Authors: Ivanova LV, Navale TS, Wang D, Lindeman S, Ivanov MV, Rathore R Tags: Chem Commun (Camb) Source Type: research