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Issue 35, 2016
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Hybridization and de-hybridization between the locally-excited (LE) state and the charge-transfer (CT) state: a combined experimental and theoretical study

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Abstract

Excited state properties play a key role in the photoluminescence (PL) and electroluminescence (EL) performance of organic light-emitting diode (OLED) materials. The solvatochromic effects were observed in a series of triphenylamine (TPA)–phenanthroimidazole (PI) derivatives with the increase of solvent polarity, accompanied by the transformation of an excited state character from the locally-excited (LE) state to the charge-transfer (CT) state in the emission spectra. The excited state properties were systematically investigated in these donor–acceptor systems using time-dependent density functional theory (TD-DFT). The hybridization and de-hybridization processes between LE and CT states were resolved with an increasing number of phenyls along horizontal and vertical directions, respectively. We provide a novel insight into the fine modulation of the excited-state characters and compositions in the donor–acceptor system for the new-generation, low-cost and high-efficiency fluorescent OLED materials.

Graphical abstract: Hybridization and de-hybridization between the locally-excited (LE) state and the charge-transfer (CT) state: a combined experimental and theoretical study

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Publication details

The article was received on 26 Apr 2016, accepted on 24 May 2016 and first published on 25 May 2016


Article type: Paper
DOI: 10.1039/C6CP02778D
Phys. Chem. Chem. Phys., 2016,18, 24176-24184

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    Hybridization and de-hybridization between the locally-excited (LE) state and the charge-transfer (CT) state: a combined experimental and theoretical study

    Y. Gao, S. Zhang, Y. Pan, L. Yao, H. Liu, Y. Guo, Q. Gu, B. Yang and Y. Ma, Phys. Chem. Chem. Phys., 2016, 18, 24176
    DOI: 10.1039/C6CP02778D

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