Quantum chemical analysis of salen–aluminum complexes for organic light emitting diodes
Chemical Physics Letters(2013)
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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