The photo- and electrochemical properties and electronic structures of conjugated diphenylanthrazolines

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• 作者：Shan Liu ; Qiang Wang ; Peng Jiang ; Rui Liu ; Guangliang Song ; Hongjun Zhu ; Shuo-Wang Yang
• 关键词：Diphenylanthrazoline ; Fluorescence ; Optical property ; Optoelectronic materials ; Electrochemical property ; Organic light-emitting diodes (OLED)
• 刊名：Dyes and Pigments
• 出版年：2010
• 出版时间：April 2010
• 年：2010
• 卷：85
• 期：1-2
• 页码：51-56
• 全文大小：794 K

文摘

The effect of molecular structure on the photophysical, electronic structure properties of a series of 9 conjugated diphenylanthrazolines were explored by UV–vis adsorption, photoluminescence spectroscopy, cyclic voltammetry and quantum chemical calculations. The featureless adsorption bands observed (λ^Abs_max: 382–420 nm) revealed low optical band gaps (2.05–2.25 eV) and the photoluminescence emission spectra (λ^Em_max: 480–546 nm) and large Stokes shift (78–148 nm) suggested the presence of excimers in the solid state. With only one exception, the diphenylanthrazolines displayed reversible electrochemical reduction with potentials of −1.03 to −1.40 V, low ionization potentials (5.91–6.29 eV), relative to that of a saturated calomel electrode and high electron affinity (3.44–3.59 eV). Quantum chemical calculations using DFT B3LYP/6-31G showed nearly identical LUMO (−2.2  −2.3 eV) and HOMO (−5.2  −5.6 eV) values, revealing that both the electronic properties and the geometries of the diphenylanthrazolines depended on the anthrazoline backbone.