Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence

Yixin Wu; Lin Cheng; Yu-Cheng Kung; Yi Pan; Shek-Man Yiu; Jie Yan; Kai Li; Wen-Yi Hung; Yun Chi; Kai-Chung Lau

doi:10.1021/acs.inorgchem.5c04898

Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence

Yixin Wu (Co-first Author)
, Lin Cheng (Co-first Author)
, Yu-Cheng Kung (Co-first Author)
, Yi Pan
, Shek-Man Yiu
, Jie Yan
, Kai Li^*
, Wen-Yi Hung^*
, Yun Chi^*
, Kai-Chung Lau^*

^*Corresponding author for this work

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

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Abstract

Pt(II) complexes are known for their versatility in showing aggregation-induced emission. Herein, we report four Pt(II) complexes Pt-1, Pt-2, and Pt-3a/b featuring both the carbene cyclometalate (C^C) and chelating pyrazolate (N^N). We evaluated two synthetic methods: the first employed the carbene intermediate Pt-DMSO, followed by N^N coordination to give Pt-1-Cl and aryl cyclometalation, while the second involved sequential addition of C^C and N^N chelates to Pt(COD)Cl₂. These Pt(II) complexes exhibited efficient sky-blue emission in a PMMA matrix at high dilution. Upon increasing the doping ratio, emission of Pt-1 and Pt-3a remained essentially unchanged, but Pt-2 and Pt-3b exhibited gradual emergence of a low-energy band at ∼575 nm, which was attributed to the metal–metal-to-ligand charge transfer emission band. These aggregation propensities aligned well with the time-dependent density functional theory calculations based on the dimers and trimers. For applications, the organic light-emitting diode devices based on Pt-1 exhibited blue emission with a max. external quantum efficiency (EQE) of 11.7% at 50 wt %, while Pt-2-based devices gave concentration-dependent emission with max. EQEs of 9.4, 11.3, and 7.1% and CIE_xy coordinates of (0.26, 0.45), (0.33, 0.47), and (0.45, 0.49) at 10, 50, and 100 wt %, respectively.

© 2025 The Authors. Published by American Chemical Society

Original language	English
Pages (from-to)	24274-24288
Number of pages	15
Journal	Inorganic Chemistry
Volume	64
Issue number	49
Online published	3 Dec 2025
DOIs	https://doi.org/10.1021/acs.inorgchem.5c04898
Publication status	Published - 15 Dec 2025

Funding

Y.C. received his financial support from the City University of Hong Kong and University Grants Council (CityU 11304221 and CityU 11312722) of Hong Kong SAR. W.-Y.H. received his financial support from the National Science and Technology Council of Taiwan (NSTC 114-2112-M-019-001). The computational studies were carried out using the High-Performance Computing facility, i.e., CityU Burgundy at City University of Hong Kong.

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@article{440f7b9d3c4d44d3a64f78589dbc87fa,

title = "Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence",

abstract = "Pt(II) complexes are known for their versatility in showing aggregation-induced emission. Herein, we report four Pt(II) complexes Pt-1, Pt-2, and Pt-3a/b featuring both the carbene cyclometalate (C\textasciicircum{}C) and chelating pyrazolate (N\textasciicircum{}N). We evaluated two synthetic methods: the first employed the carbene intermediate Pt-DMSO, followed by N\textasciicircum{}N coordination to give Pt-1-Cl and aryl cyclometalation, while the second involved sequential addition of C\textasciicircum{}C and N\textasciicircum{}N chelates to Pt(COD)Cl2. These Pt(II) complexes exhibited efficient sky-blue emission in a PMMA matrix at high dilution. Upon increasing the doping ratio, emission of Pt-1 and Pt-3a remained essentially unchanged, but Pt-2 and Pt-3b exhibited gradual emergence of a low-energy band at ∼575 nm, which was attributed to the metal–metal-to-ligand charge transfer emission band. These aggregation propensities aligned well with the time-dependent density functional theory calculations based on the dimers and trimers. For applications, the organic light-emitting diode devices based on Pt-1 exhibited blue emission with a max. external quantum efficiency (EQE) of 11.7\% at 50 wt \%, while Pt-2-based devices gave concentration-dependent emission with max. EQEs of 9.4, 11.3, and 7.1\% and CIExy coordinates of (0.26, 0.45), (0.33, 0.47), and (0.45, 0.49) at 10, 50, and 100 wt \%, respectively. {\textcopyright} 2025 The Authors. Published by American Chemical Society",

author = "Yixin Wu and Lin Cheng and Yu-Cheng Kung and Yi Pan and Shek-Man Yiu and Jie Yan and Kai Li and Wen-Yi Hung and Yun Chi and Kai-Chung Lau",

year = "2025",

month = dec,

day = "15",

doi = "10.1021/acs.inorgchem.5c04898",

language = "English",

volume = "64",

pages = "24274--24288",

journal = "Inorganic Chemistry",

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}

Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence. / Wu, Yixin (Co-first Author); Cheng, Lin (Co-first Author); Kung, Yu-Cheng (Co-first Author) et al.
In: Inorganic Chemistry, Vol. 64, No. 49, 15.12.2025, p. 24274-24288.

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

TY - JOUR

T1 - Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence

AU - Wu, Yixin

AU - Cheng, Lin

AU - Kung, Yu-Cheng

AU - Pan, Yi

AU - Yiu, Shek-Man

AU - Yan, Jie

AU - Li, Kai

AU - Hung, Wen-Yi

AU - Chi, Yun

AU - Lau, Kai-Chung

PY - 2025/12/15

Y1 - 2025/12/15

N2 - Pt(II) complexes are known for their versatility in showing aggregation-induced emission. Herein, we report four Pt(II) complexes Pt-1, Pt-2, and Pt-3a/b featuring both the carbene cyclometalate (C^C) and chelating pyrazolate (N^N). We evaluated two synthetic methods: the first employed the carbene intermediate Pt-DMSO, followed by N^N coordination to give Pt-1-Cl and aryl cyclometalation, while the second involved sequential addition of C^C and N^N chelates to Pt(COD)Cl2. These Pt(II) complexes exhibited efficient sky-blue emission in a PMMA matrix at high dilution. Upon increasing the doping ratio, emission of Pt-1 and Pt-3a remained essentially unchanged, but Pt-2 and Pt-3b exhibited gradual emergence of a low-energy band at ∼575 nm, which was attributed to the metal–metal-to-ligand charge transfer emission band. These aggregation propensities aligned well with the time-dependent density functional theory calculations based on the dimers and trimers. For applications, the organic light-emitting diode devices based on Pt-1 exhibited blue emission with a max. external quantum efficiency (EQE) of 11.7% at 50 wt %, while Pt-2-based devices gave concentration-dependent emission with max. EQEs of 9.4, 11.3, and 7.1% and CIExy coordinates of (0.26, 0.45), (0.33, 0.47), and (0.45, 0.49) at 10, 50, and 100 wt %, respectively. © 2025 The Authors. Published by American Chemical Society

AB - Pt(II) complexes are known for their versatility in showing aggregation-induced emission. Herein, we report four Pt(II) complexes Pt-1, Pt-2, and Pt-3a/b featuring both the carbene cyclometalate (C^C) and chelating pyrazolate (N^N). We evaluated two synthetic methods: the first employed the carbene intermediate Pt-DMSO, followed by N^N coordination to give Pt-1-Cl and aryl cyclometalation, while the second involved sequential addition of C^C and N^N chelates to Pt(COD)Cl2. These Pt(II) complexes exhibited efficient sky-blue emission in a PMMA matrix at high dilution. Upon increasing the doping ratio, emission of Pt-1 and Pt-3a remained essentially unchanged, but Pt-2 and Pt-3b exhibited gradual emergence of a low-energy band at ∼575 nm, which was attributed to the metal–metal-to-ligand charge transfer emission band. These aggregation propensities aligned well with the time-dependent density functional theory calculations based on the dimers and trimers. For applications, the organic light-emitting diode devices based on Pt-1 exhibited blue emission with a max. external quantum efficiency (EQE) of 11.7% at 50 wt %, while Pt-2-based devices gave concentration-dependent emission with max. EQEs of 9.4, 11.3, and 7.1% and CIExy coordinates of (0.26, 0.45), (0.33, 0.47), and (0.45, 0.49) at 10, 50, and 100 wt %, respectively. © 2025 The Authors. Published by American Chemical Society

UR - https://www.webofscience.com/wos/woscc/full-record/WOS:001630191500001

U2 - 10.1021/acs.inorgchem.5c04898

DO - 10.1021/acs.inorgchem.5c04898

M3 - RGC 21 - Publication in refereed journal

C2 - 41336281

SN - 0020-1669

VL - 64

SP - 24274

EP - 24288

JO - Inorganic Chemistry

JF - Inorganic Chemistry

IS - 49

ER -

Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence

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GRF: Thermally Activated Delayed Fluorescent Organoboron Materials and Hyperphosphorescence

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

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Modulation of Supramolecular Interaction of Pt(II) Complexes Bearing Carbene Cyclometalate for Color-Tunable Luminescence

Abstract

Funding

Publisher's Copyright Statement

RGC Funding Information

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GRF: Thermally Activated Delayed Fluorescent Organoboron Materials and Hyperphosphorescence

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

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