Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence

Yanyan Qin; Xilin Yang; Jibiao Jin; Deli Li; Xiuwen Zhou; Zhong Zheng; Yingjie Sun; Wai-Yeung Wong; Yun Chi; Shi-Jian Su

doi:10.1002/adom.202201633

Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence

Yanyan Qin (Co-first Author), Xilin Yang (Co-first Author), Jibiao Jin, Deli Li, Xiuwen Zhou^*, Zhong Zheng, Yingjie Sun, Wai-Yeung Wong, Yun Chi^*, Shi-Jian Su^*

^*Corresponding author for this work

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

26 Citations (Scopus)

47 Downloads (CityUHK Scholars)

Abstract

Homoleptic fac-substituted Ir(III) carbene complexes exhibit higher emission energy (in purple region) in comparison to their mer-counterparts, prohibiting them to be employed in fabrication of blue emissive organic light-emitting diode (OLED) devices. Now, the design of two distinctive CF₃-functionalized purin-8-ylidene Ir(III) complexes, namely, m- and f-CF₃ and m- and f-PhCF₃, from new carbene motifs, 9-(3-(tert-butyl)phenyl)-7-isopropyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (A4) and 9-(3-(tert-butyl)phenyl)-7-methyl-6-phenyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (B7), having notably stabilized lowest unoccupied molecular orbital energy levels is reported. Hence, the corresponding f-isomers f-CF₃ and f-PhCF₃ exhibit electroluminescence with peak max. at 478 and 495 nm, max. external quantum efficiencies (EQEs) of 10.4% and 12.8%, respectively. By using f-CF₃ as assistant dopant to convey its energy to terminal emitter t-DABNA and from f-PhCF₃ donor to 2TCzBN acceptor, two hyper-OLED devices are successfully fabricated, giving high max. EQE of 23.8%, full-width at half-maximum (FWHM) of 30 nm, and CIE_x_,_y coordinate of (0.13, 0.14) for the acceptor t-DABNA, and max. EQE of 24.0%, FWHM of 28 nm, and CIE_x_,_y of (0.11, 0.36) for the acceptor 2TCzBN, confirming the advantages of these purin-8-ylidene Ir(III) complexes.

Original language	English
Article number	2201633
Journal	Advanced Optical Materials
Volume	10
Issue number	23
Online published	28 Sept 2022
DOIs	https://doi.org/10.1002/adom.202201633
Publication status	Published - 5 Dec 2022

Funding

This work was supported by the funding from Innovation and Technology Fund (ITS/158/19FP), Research Grant Council (N_CityU/19, CityU 11304221) and City University of Hong Kong, Hong Kong SAR. SJS is supported by the National Natural Science Foundation of China (51625301, 91833304, and 51861145301). XZ is supported by an Australian Research Council Discovery Early Career Researcher Award (ARC DECRA DE190100144), a University of Queensalnd Amplify Fellowship and a computing grant (NCMAS proposal-12587) from the National Computational Infrastructure of Australia.

Research Keywords

carbene
cyclometalate
hyperphosphorescence
iridium
organic light-emitting diodes

Publisher's Copyright Statement

COPYRIGHT TERMS OF DEPOSITED POSTPRINT FILE: This is the peer reviewed version of the following article: Qin, Y., Yang, X., Jin, J., Li, D., Zhou, X., Zheng, Z., Sun, Y., Wong, W-Y., Chi, Y., & Su, S-J. (2022). Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence. Advanced Optical Materials, 10(23), [2201633]
which has been published in final form at https://doi.org/10.1002/adom.202201633. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited.

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@article{8e3dcf66afff45a68bb754fd790ce408,

title = "Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence",

abstract = "Homoleptic fac-substituted Ir(III) carbene complexes exhibit higher emission energy (in purple region) in comparison to their mer-counterparts, prohibiting them to be employed in fabrication of blue emissive organic light-emitting diode (OLED) devices. Now, the design of two distinctive CF3-functionalized purin-8-ylidene Ir(III) complexes, namely, m- and f-CF3 and m- and f-PhCF3, from new carbene motifs, 9-(3-(tert-butyl)phenyl)-7-isopropyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (A4) and 9-(3-(tert-butyl)phenyl)-7-methyl-6-phenyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (B7), having notably stabilized lowest unoccupied molecular orbital energy levels is reported. Hence, the corresponding f-isomers f-CF3 and f-PhCF3 exhibit electroluminescence with peak max. at 478 and 495 nm, max. external quantum efficiencies (EQEs) of 10.4% and 12.8%, respectively. By using f-CF3 as assistant dopant to convey its energy to terminal emitter t-DABNA and from f-PhCF3 donor to 2TCzBN acceptor, two hyper-OLED devices are successfully fabricated, giving high max. EQE of 23.8%, full-width at half-maximum (FWHM) of 30 nm, and CIEx,y coordinate of (0.13, 0.14) for the acceptor t-DABNA, and max. EQE of 24.0%, FWHM of 28 nm, and CIEx,y of (0.11, 0.36) for the acceptor 2TCzBN, confirming the advantages of these purin-8-ylidene Ir(III) complexes.",

keywords = "carbene, cyclometalate, hyperphosphorescence, iridium, organic light-emitting diodes",

author = "Yanyan Qin and Xilin Yang and Jibiao Jin and Deli Li and Xiuwen Zhou and Zhong Zheng and Yingjie Sun and Wai-Yeung Wong and Yun Chi and Shi-Jian Su",

year = "2022",

month = dec,

day = "5",

doi = "10.1002/adom.202201633",

language = "English",

volume = "10",

journal = "Advanced Optical Materials",

issn = "2195-1071",

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Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence. / Qin, Yanyan (Co-first Author); Yang, Xilin (Co-first Author); Jin, Jibiao et al.
In: Advanced Optical Materials, Vol. 10, No. 23, 2201633, 05.12.2022.

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

TY - JOUR

T1 - Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence

AU - Qin, Yanyan

AU - Yang, Xilin

AU - Jin, Jibiao

AU - Li, Deli

AU - Zhou, Xiuwen

AU - Zheng, Zhong

AU - Sun, Yingjie

AU - Wong, Wai-Yeung

AU - Chi, Yun

AU - Su, Shi-Jian

PY - 2022/12/5

Y1 - 2022/12/5

N2 - Homoleptic fac-substituted Ir(III) carbene complexes exhibit higher emission energy (in purple region) in comparison to their mer-counterparts, prohibiting them to be employed in fabrication of blue emissive organic light-emitting diode (OLED) devices. Now, the design of two distinctive CF3-functionalized purin-8-ylidene Ir(III) complexes, namely, m- and f-CF3 and m- and f-PhCF3, from new carbene motifs, 9-(3-(tert-butyl)phenyl)-7-isopropyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (A4) and 9-(3-(tert-butyl)phenyl)-7-methyl-6-phenyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (B7), having notably stabilized lowest unoccupied molecular orbital energy levels is reported. Hence, the corresponding f-isomers f-CF3 and f-PhCF3 exhibit electroluminescence with peak max. at 478 and 495 nm, max. external quantum efficiencies (EQEs) of 10.4% and 12.8%, respectively. By using f-CF3 as assistant dopant to convey its energy to terminal emitter t-DABNA and from f-PhCF3 donor to 2TCzBN acceptor, two hyper-OLED devices are successfully fabricated, giving high max. EQE of 23.8%, full-width at half-maximum (FWHM) of 30 nm, and CIEx,y coordinate of (0.13, 0.14) for the acceptor t-DABNA, and max. EQE of 24.0%, FWHM of 28 nm, and CIEx,y of (0.11, 0.36) for the acceptor 2TCzBN, confirming the advantages of these purin-8-ylidene Ir(III) complexes.

AB - Homoleptic fac-substituted Ir(III) carbene complexes exhibit higher emission energy (in purple region) in comparison to their mer-counterparts, prohibiting them to be employed in fabrication of blue emissive organic light-emitting diode (OLED) devices. Now, the design of two distinctive CF3-functionalized purin-8-ylidene Ir(III) complexes, namely, m- and f-CF3 and m- and f-PhCF3, from new carbene motifs, 9-(3-(tert-butyl)phenyl)-7-isopropyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (A4) and 9-(3-(tert-butyl)phenyl)-7-methyl-6-phenyl-2-(trifluoromethyl)-7,9-dihydro-8H-purin-8-ylidene (B7), having notably stabilized lowest unoccupied molecular orbital energy levels is reported. Hence, the corresponding f-isomers f-CF3 and f-PhCF3 exhibit electroluminescence with peak max. at 478 and 495 nm, max. external quantum efficiencies (EQEs) of 10.4% and 12.8%, respectively. By using f-CF3 as assistant dopant to convey its energy to terminal emitter t-DABNA and from f-PhCF3 donor to 2TCzBN acceptor, two hyper-OLED devices are successfully fabricated, giving high max. EQE of 23.8%, full-width at half-maximum (FWHM) of 30 nm, and CIEx,y coordinate of (0.13, 0.14) for the acceptor t-DABNA, and max. EQE of 24.0%, FWHM of 28 nm, and CIEx,y of (0.11, 0.36) for the acceptor 2TCzBN, confirming the advantages of these purin-8-ylidene Ir(III) complexes.

KW - carbene

KW - cyclometalate

KW - hyperphosphorescence

KW - iridium

KW - organic light-emitting diodes

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DO - 10.1002/adom.202201633

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ER -

Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence

Abstract

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Research Keywords

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GRF: Iridium(III) Blue Phosphors with Carbene-Based Chromophoric Chelate

ITF: Efficient Blue-Emitting OLED Phosphors and Devices

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Facially Coordinated, Tris-bidentate Purin-8-ylidene Ir(III) Complexes for Blue Electrophosphorescence and Hyperluminescence

Abstract

Funding

Research Keywords

Publisher's Copyright Statement

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Projects

GRF: Iridium(III) Blue Phosphors with Carbene-Based Chromophoric Chelate

ITF: Efficient Blue-Emitting OLED Phosphors and Devices

Cite this