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Energy level management of CN substituted terdibenzofuran exciton blocking materials by controlling interconnect position of dibenzofuran and CN substitution positions
Dyes and Pigments ( IF 4.5 ) Pub Date : 2018-10-04 , DOI: 10.1016/j.dyepig.2018.10.003
Ju Hui Yun , Yu Jin Kang , Si Hyun Han , Jun Yeob Lee

Three CN modified terdibenzofuran compounds, [2,2':8′,2″-terdibenzo[b,d]furan]-8,8″-dicarbonitrile (2CN2TDBF), [2,4':6′,2″-terdibenzo[b,d]furan]-8,8″-dicarbonitrile (2CN4TDBF), and [4,2':8′,4″-terdibenzo[b,d]furan]-6,6″-dicarbonitrile (4CN2TDBF), were synthesized as exciton blocking materials of blue phosphorescent organic light-emitting diodes (PhOLEDs) to understand the effect of interconnect position between dibenzofuran units and CN substitution positions in the dibenzofuran. Both the interconnect position and CN substitution position affected the lowest unoccupied molecular orbital (LUMO) of the exciton blocking materials. The LUMO stabilization effect was significantly noted in the 4CN2TDBF exciton blocking material, while it was marginal in the 2CN4TDBF exciton blocking material. The LUMO of 2CN2TDBF was in between that of 4CN2TDBF and that of 2CN4TDBF. Therefore, the LUMO level management of the CN modified terdibenzofuran compounds was effectively accomplished by engineering the interconnect position of dibenzofuran and CN modification position.



中文翻译:

通过控制二苯并呋喃的互连位置和CN取代位置来控制CN取代的二苯并呋喃激子阻挡材料的能级

三种CN改性的叔二苯并呋喃化合物,[2,2':8',2”-叔二苯并[b,d]呋喃] -8,8”-二腈(2CN2TDBF),[2,4':6',2”-叔二苯并[b,d]呋喃] -8,8″-二腈(2CN4TDBF),和[4,2':8',4″-叔二苯并[b,d]呋喃] -6,6″-二腈(4CN2TDBF),合成了作为蓝色磷光有机发光二极管(PhOLED)的激子阻挡材料,以了解二苯并呋喃单元之间的互连位置和二苯并呋喃中CN取代位置的影响。互连位置和CN取代位置都影响激子阻挡材料的最低未占据分子轨道(LUMO)。LUMO稳定作用在4CN2TDBF激子阻挡材料中得到了显着体现,而在2CN4TDBF激子阻挡材料中则很小。2CN2TDBF的LUMO在4CN2TDBF和2CN4TDBF的LUMO之间。因此,通过设计二苯并呋喃的互连位置和CN修饰位置,可以有效地完成CN修饰的二苯并呋喃化合物的LUMO水平管理。

更新日期:2018-10-04
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