Quantum chemical analysis of salen–aluminum complexes for organic light emitting diodes

Chemical Physics Letters(2013)

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摘要
•Emitting properties of salen–Al complexes are important for application in organic light emitting diodes.•The first excited-state structures and their emission energies were calculated.•We rectify the problem of TD-B3LYP by employing the long-range corrected TD-CAM-B3LYP.•TD-CAM-B3LYP structures and their transition energies well explain experimental results.
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