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231225s2018 xx |||||o 00| ||eng c |
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|a 10.1002/jcc.25708
|2 doi
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|a pubmed24n0966.xml
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|a DE-627
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|c DE-627
|e rakwb
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|a eng
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| 100 |
1 |
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|a Feng, Songyan
|e verfasserin
|4 aut
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| 245 |
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|a 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
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|c 2018
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 20.11.2019
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2018 Wiley Periodicals, Inc.
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|a 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 (kRISC ) of the three targeted molecules were calculated by the semiclassical Marcus rate expression. The present results demonstrate that the kRISC rate of AcDPA-2PP is estimated to be 5.56 × 106 s-1 , about twice larger than that of AcDPA-2TP (2.63 × 106 s-1 ), and especially AcDPA-TPP is found to exhibit the largest kRISC value (6.97 × 106 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
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|a Journal Article
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|a Marcus rate expression
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|a green emission
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|a reverse intersystem crossing
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|a theoretical design
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|a thermally activated delayed fluorescence
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|a Wen, Keke
|e verfasserin
|4 aut
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1 |
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|a Si, Yubing
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Guo, Xugeng
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Zhang, Jinglai
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 39(2018), 31 vom: 05. Dez., Seite 2601-2606
|w (DE-627)NLM098138448
|x 1096-987X
|7 nnns
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| 773 |
1 |
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|g volume:39
|g year:2018
|g number:31
|g day:05
|g month:12
|g pages:2601-2606
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|u http://dx.doi.org/10.1002/jcc.25708
|3 Volltext
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