Electronic Structure Study on the Electroluminescent Properties of Fully Substituted Ethylene Derivatives
The correlation between the molecular conformations and the electroluminescent properties of fully substituted ethylene derivatives has been studied with semiempirical molecular orbital calculations. It was found that the existence of intramolecular interactions between anthracenes in (Z)-form isomers lower their energies. UV-visible spectra were also predicted by configuration interaction calculations, and compared with experimental results.
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Document Type: Research Article
Publication date: February 1, 2011
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