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Abstract
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Blue to red organic light-emitting diodes based on a series of newly synthesized distyrylbenzenes
have been demonstrated. Their optical properties have been theoretically and experimentally
studied in order to inquire into the substitution effects (such as electron-donating,
electron-withdrawing, and steric hindrance) on the emission color. Density functional theory at
B3LYP/6-311 G(d) level of calculation was employed to obtain the molecular structures and highest
occupied molecular orbital and lowest unoccupied molecular orbital surfaces. Electroluminescence
emission range of compounds could be tuned by changing the strength of the acceptor
component and using push–pull and nonplanarity effects from 483 (blue) to 600 (red) nm.
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