Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devices

Ta Ya Chu; Meng Huan Ho; Jenn-Fang Chen; Chin H. Chen

doi:10.1016/j.cplett.2005.08.149

Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devices

Ta Ya Chu^*, Meng Huan Ho, Jenn-Fang Chen, Chin H. Chen

^*此作品的通信作者

電子物理學系

研究成果: Article › 同行評審

35 引文斯高帕斯（Scopus）

摘要

Novel triplet host materials 2,4,6-tris(diarylamino)-1,3,5-triazine derivatives (TRZ1-TRZ4) have been reported and from which TRZ2 as a host for Ir(ppy)₃ was particularly useful in producing high efficiency phosphorescent organic light emitting diodes (OLEDs). This Letter reports the molecular orbital and energy level of these derivatives determined by ab initio calculation. The calculated triplet bandgap energy of TRZ1 has been found to be larger than that of TRZ2 and the TRZ1 molecules and has the lowest dipole moment which infers the highest carrier mobility. Therefore, TRZ1 has the potential to be a superb triplet host material and electron transport material.

原文	English
頁（從 - 到）	137-140
頁數	4
期刊	Chemical Physics Letters
卷	415
發行號	1-3
DOIs	https://doi.org/10.1016/j.cplett.2005.08.149
出版狀態	Published - 24 10月 2005

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abstract = "Novel triplet host materials 2,4,6-tris(diarylamino)-1,3,5-triazine derivatives (TRZ1-TRZ4) have been reported and from which TRZ2 as a host for Ir(ppy)3 was particularly useful in producing high efficiency phosphorescent organic light emitting diodes (OLEDs). This Letter reports the molecular orbital and energy level of these derivatives determined by ab initio calculation. The calculated triplet bandgap energy of TRZ1 has been found to be larger than that of TRZ2 and the TRZ1 molecules and has the lowest dipole moment which infers the highest carrier mobility. Therefore, TRZ1 has the potential to be a superb triplet host material and electron transport material.",

author = "Chu, {Ta Ya} and Ho, {Meng Huan} and Jenn-Fang Chen and Chen, {Chin H.}",

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AU - Chu, Ta Ya

AU - Ho, Meng Huan

AU - Chen, Jenn-Fang

AU - Chen, Chin H.

PY - 2005/10/24

Y1 - 2005/10/24

N2 - Novel triplet host materials 2,4,6-tris(diarylamino)-1,3,5-triazine derivatives (TRZ1-TRZ4) have been reported and from which TRZ2 as a host for Ir(ppy)3 was particularly useful in producing high efficiency phosphorescent organic light emitting diodes (OLEDs). This Letter reports the molecular orbital and energy level of these derivatives determined by ab initio calculation. The calculated triplet bandgap energy of TRZ1 has been found to be larger than that of TRZ2 and the TRZ1 molecules and has the lowest dipole moment which infers the highest carrier mobility. Therefore, TRZ1 has the potential to be a superb triplet host material and electron transport material.

AB - Novel triplet host materials 2,4,6-tris(diarylamino)-1,3,5-triazine derivatives (TRZ1-TRZ4) have been reported and from which TRZ2 as a host for Ir(ppy)3 was particularly useful in producing high efficiency phosphorescent organic light emitting diodes (OLEDs). This Letter reports the molecular orbital and energy level of these derivatives determined by ab initio calculation. The calculated triplet bandgap energy of TRZ1 has been found to be larger than that of TRZ2 and the TRZ1 molecules and has the lowest dipole moment which infers the highest carrier mobility. Therefore, TRZ1 has the potential to be a superb triplet host material and electron transport material.

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DO - 10.1016/j.cplett.2005.08.149

M3 - Article

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SN - 0009-2614

VL - 415

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EP - 140

JO - Chemical Physics Letters

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ER -

Ab initio molecular orbital study of 1,3,5-triazine derivatives for phosphorescent organic light emitting devices

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