Color tuning of iridium complexes for organic light-emitting diodes: The electronegative effect and π-conjugation effect

Cheng Hsien Yang, Kai Hung Fang, Wei Lin Su, Shao Pin Wang, Shih Kang Su, I-Wen Sun

研究成果: Article

22 引文 (Scopus)

摘要

Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C2′) iridium(acetylacetonate) [(pqz)2Ir(acac)], bis(1-(1′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(1-mniq)2Ir(acac)] and bis(1-(2′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(2-mniq)2Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)2Ir(acac) ligand shows almost the same influence as the extended π-conjugation effect of (2-mniq)2Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ3/LiF/Al were fabricated. The device using (pqz)2Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30.

原文English
頁(從 - 到)2767-2773
頁數7
期刊Journal of Organometallic Chemistry
691
發行號12
DOIs
出版狀態Published - 2006 六月 1

指紋

Iridium
Organic light emitting diodes (OLED)
iridium
conjugation
light emitting diodes
Color
Tuning
tuning
color
Light
Density functional theory
Doping (additives)
density functional theory
Luminescent devices
Equipment and Supplies
ITO (semiconductors)
Electron energy levels
atomic energy levels
emitters
Ligands

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

引用此文

Yang, Cheng Hsien ; Fang, Kai Hung ; Su, Wei Lin ; Wang, Shao Pin ; Su, Shih Kang ; Sun, I-Wen. / Color tuning of iridium complexes for organic light-emitting diodes : The electronegative effect and π-conjugation effect. 於: Journal of Organometallic Chemistry. 2006 ; 卷 691, 編號 12. 頁 2767-2773.
@article{39f47e0686334464954904d3e3f14295,
title = "Color tuning of iridium complexes for organic light-emitting diodes: The electronegative effect and π-conjugation effect",
abstract = "Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C2′) iridium(acetylacetonate) [(pqz)2Ir(acac)], bis(1-(1′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(1-mniq)2Ir(acac)] and bis(1-(2′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(2-mniq)2Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)2Ir(acac) ligand shows almost the same influence as the extended π-conjugation effect of (2-mniq)2Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ3/LiF/Al were fabricated. The device using (pqz)2Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30.",
author = "Yang, {Cheng Hsien} and Fang, {Kai Hung} and Su, {Wei Lin} and Wang, {Shao Pin} and Su, {Shih Kang} and I-Wen Sun",
year = "2006",
month = "6",
day = "1",
doi = "10.1016/j.jorganchem.2006.02.034",
language = "English",
volume = "691",
pages = "2767--2773",
journal = "Journal of Organometallic Chemistry",
issn = "0022-328X",
publisher = "Elsevier",
number = "12",

}

Color tuning of iridium complexes for organic light-emitting diodes : The electronegative effect and π-conjugation effect. / Yang, Cheng Hsien; Fang, Kai Hung; Su, Wei Lin; Wang, Shao Pin; Su, Shih Kang; Sun, I-Wen.

於: Journal of Organometallic Chemistry, 卷 691, 編號 12, 01.06.2006, p. 2767-2773.

研究成果: Article

TY - JOUR

T1 - Color tuning of iridium complexes for organic light-emitting diodes

T2 - The electronegative effect and π-conjugation effect

AU - Yang, Cheng Hsien

AU - Fang, Kai Hung

AU - Su, Wei Lin

AU - Wang, Shao Pin

AU - Su, Shih Kang

AU - Sun, I-Wen

PY - 2006/6/1

Y1 - 2006/6/1

N2 - Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C2′) iridium(acetylacetonate) [(pqz)2Ir(acac)], bis(1-(1′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(1-mniq)2Ir(acac)] and bis(1-(2′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(2-mniq)2Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)2Ir(acac) ligand shows almost the same influence as the extended π-conjugation effect of (2-mniq)2Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ3/LiF/Al were fabricated. The device using (pqz)2Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30.

AB - Novel red phosphorescent emitter bis(4-phenylquinazolinato-N,C2′) iridium(acetylacetonate) [(pqz)2Ir(acac)], bis(1-(1′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(1-mniq)2Ir(acac)] and bis(1-(2′-naphthyl)-5-methylisoquinolinato-N,C2′)iridium(acetylacetonate) [(2-mniq)2Ir(acac)] have been synthesized and fully characterized. The electronegative effect of (pqz)2Ir(acac) ligand shows almost the same influence as the extended π-conjugation effect of (2-mniq)2Ir(acac). Density functional theory (DFT) was applied to calculate the Kohn-Sham orbitals of HOMOs and LUMOs in the iridium complexes to illustrate the N(1) electronegative atom effect. Finally, lowest triplet state (T1) energies calculated by time-dependent DFT (TDDFT) were compared with the experimental electroluminescent data. The calculated data for the iridium complexes agreed fairly well with experimental data. Electroluminescent devices with a configuration of ITO/NPB/CBP:dopant/BCP/AlQ3/LiF/Al were fabricated. The device using (pqz)2Ir(acac) as a dopant showed deep-red emission with 1931 CIE (Commission International de L'Eclairage) chromaticity coordinates x = 0.70, y = 0.30.

UR - http://www.scopus.com/inward/record.url?scp=33646363299&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33646363299&partnerID=8YFLogxK

U2 - 10.1016/j.jorganchem.2006.02.034

DO - 10.1016/j.jorganchem.2006.02.034

M3 - Article

AN - SCOPUS:33646363299

VL - 691

SP - 2767

EP - 2773

JO - Journal of Organometallic Chemistry

JF - Journal of Organometallic Chemistry

SN - 0022-328X

IS - 12

ER -