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• W2895895322 abstract "According to one experimentally reported thermally activated delayed fluorescence (TADF) emitter ( AcDPA‐2TP ), two new molecules ( AcDPA‐2PP and AcDPA‐TPP ) have been designed theoretically to probe into the effect of different acceptor strengths on their TADF mechanisms. In this work, the rates of reverse intersystem crossing ( k RISC ) of the three targeted molecules were calculated by the semiclassical Marcus rate expression. The present results demonstrate that the k RISC rate of AcDPA‐2PP is estimated to be 5.56 × 10 6 s −1 , about twice larger than that of AcDPA‐2TP (2.63 × 10 6 s −1 ), and especially AcDPA‐TPP is found to exhibit the largest k RISC value (6.97 × 10 6 s −1 ) among the three molecules. Considering that AcDPA‐2TP has been observed to be an efficient TADF emitter, our newly designed two molecules AcDPA‐2PP and AcDPA‐TPP are also expected to be potential TADF materials. © 2018 Wiley Periodicals, Inc." @default.
• W2895895322 created "2018-10-26" @default.
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• W2895895322 date "2018-10-23" @default.
• W2895895322 modified "2023-09-25" @default.
• W2895895322 title "Theoretical studies on thermally activated delayed fluorescence mechanism of a series of organic light-emitting diodes emitters comprising 2,7-diphenylamino-9,9-dimethylacridine as electron donor" @default.
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• W2895895322 doi "https://doi.org/10.1002/jcc.25708" @default.
• W2895895322 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30351447" @default.
• W2895895322 hasPublicationYear "2018" @default.
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