Colorless to Purple–Red Switching Electrochromic Anthraquinone Imides with Broad Visible/Near??IR Absorptions in the Radical Anion State: Simulation??Aided …

F Chen, J Zhang, H Jiang, X Wan

Index: Chen, Fengkun; Zhang, Jie; Jiang, Hong; Wan, Xinhua Chemistry - An Asian Journal, 2013 , vol. 8, # 7 p. 1497 - 1503

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Citation Number: 9

Abstract

Abstract The large redshift of near-infrared (NIR) absorptions of nitro-substituted anthraquinone imide (Nitro-AQI) radical anions, relative to other AQI derivatives, is rationalized based on quantum chemical calculations. Calculations reveal that the delocalization effects of electronegative substitution in the radical anion states is dramatically enhanced, thus leading to a significant decrease in the HOMO–LUMO band ...