Theoretical Investigation on the Electron and Energy Transfer between Peripheral Carrier Transport Groups and Central Chromophores in Electroluminescent Materials

The molecular materials with structures of luminescent core and peripheral carrier groups （e.g. carbazoles）, have exhibited high-performance in organic light-emitting diodes （OLEDs）. Present work is to understand the basic process of electronic and energy exchange between the peripheral functional g...

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Published inChinese journal of chemistry Vol. 30; no. 10; pp. 2367 - 2375
Main Author 潘玉钰 刘丹丹 许海 刘晓冬 孙冠楠 杨兵 马於光
Format Journal Article
LanguageEnglish
Published Weinheim WILEY-VCH Verlag 01.10.2012
WILEY‐VCH Verlag
Wiley Subscription Services, Inc
Subjects
carbazole
Chemical analysis
Chemistry
density functional theory (DFT)
Diodes
Energy transfer
fluorene derivative
Optical properties
organic light-emitting diodes (OLEDs)
R&D
Research & development
side-chain functionality
中央
发色团
密度泛函理论
有机发光二极管
电子转移
电致发光材料
能量转移
载波传输
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ISSN1001-604X
1614-7065
DOI10.1002/cjoc.201200647

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Summary:The molecular materials with structures of luminescent core and peripheral carrier groups （e.g. carbazoles）, have exhibited high-performance in organic light-emitting diodes （OLEDs）. Present work is to understand the basic process of electronic and energy exchange between the peripheral functional groups and the central core through quantum chemical analysis. As an example, 4,7-bis（9,9-bis（6-（9H-carbazol-9-yl）hexyl）-9H-fluoren-2-yl）benzo[c]- [1,2,5]thiadiazole （TCBzC） is investigated in regards to optoelectronic properties using density functional theory （DFT）. The results suggest that the forbidden transition from peripheral carbazole to the central chromophore core makes for separated electrical and optical properties, and high performance electroluminescence （EL） is mainly at- tributed to the energy-transfer from carbazoles to the fluorene derivative core.
Bibliography:31-1547/O6
Pan, Yuyu Liu, Dandana Xu, Haia Liu, Xiaodong Sun, Guannana Yang, Bing Ma, Yuguang State Key Laboratory of Supramolecular Structure and Materials, Jilin University Changchun, Jilin 130012, China b College of Chemistry, Jilin University, Changchun, Jilin 130012, China
The molecular materials with structures of luminescent core and peripheral carrier groups （e.g. carbazoles）, have exhibited high-performance in organic light-emitting diodes （OLEDs）. Present work is to understand the basic process of electronic and energy exchange between the peripheral functional groups and the central core through quantum chemical analysis. As an example, 4,7-bis（9,9-bis（6-（9H-carbazol-9-yl）hexyl）-9H-fluoren-2-yl）benzo[c]- [1,2,5]thiadiazole （TCBzC） is investigated in regards to optoelectronic properties using density functional theory （DFT）. The results suggest that the forbidden transition from peripheral carbazole to the central chromophore core makes for separated electrical and optical properties, and high performance electroluminescence （EL） is mainly at- tributed to the energy-transfer from carbazoles to the fluorene derivative core.
fluorene derivative, carbazole, side-chain functionality, organic light-emitting diodes （OLEDs）, den-sity functional theory （DFT）
PCSIRT
istex:FB27E064CC5C1F15A53527C09F5F4F5D559E8B02
111 project - No. B06009
ArticleID:CJOC201200647
the Ministry of Science and Technology of China - No. 2009CB623605
the National Natural Science Foundation of China - No. 20834006, 51073069, 51273078
ark:/67375/WNG-GC469D62-T
ObjectType-Article-1
SourceType-Scholarly Journals-1
content type line 14
ISSN:1001-604X
1614-7065
DOI:10.1002/cjoc.201200647