Article ID Journal Published Year Pages File Type
5383290 Chemical Physics Letters 2012 5 Pages PDF
Abstract
► Nine (2,7-fluorene)-heterocyclic derivatives were studied by B3LYP theory. ► The absorption and emission spectra of the models were predicted by TD-B3LYP theory. ► The lowest singlet excited state is dominated by HOMO-LUMO electronic transition. ► Model F(TQ)F has the lowest excitation energy by 1.91 eV.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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