Design, synthesis, and photophysical properties of an iridium(III) complex bearing an indolo[3,2,1-jk]carbazole-decorated NHC ligand

Maire Griffin; Campbell F. R. Mackenzie; Eli Zysman-Colman

doi:10.1080/00958972.2025.2453075

Design, synthesis, and photophysical properties of an iridium(III) complex bearing an indolo[3,2,1-jk]carbazole-decorated NHC ligand

Maire Griffin, Campbell F. R. Mackenzie, Eli Zysman-Colman^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

Abstract

The synthesis and characterization of a novel blue-green emitting neutral heteroleptic iridium(III) complex Ir(dFppy)₂(iCzmi) (λ_PL = 505 nm in MeCN) is reported. This represents the first example of an NHC ligand bearing an indolo-[3,2,1-jk]carbazolyl (iCz) unit, and the first use of an iCz containing ligand as the ancillary ligand in a heteroleptic Iridium(III) complex. The influence of the iCz moiety on the photophysical properties of Ir(dFppy)₂(iCzmi) is explored by comparing its properties with those of the reference emitter—Ir(dFppy)₂(pmi). Both complexes show similar photophysical properties, which are rationalized in terms of a detailed computational study.

Original language	English
Number of pages	15
Journal	Journal of Coordination Chemistry
Volume	Latest Articles
Early online date	21 Jan 2025
DOIs	https://doi.org/10.1080/00958972.2025.2453075
Publication status	E-pub ahead of print - 21 Jan 2025

Keywords

Iridium
N-heterocyclic carbene ligand
Indolo[3,2,1-jk]carbazole ligand
Photophysics
DFT

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10.1080/00958972.2025.2453075Licence: CC BY

Griffin_2025_JCC_Design-synthesis-iridium(III)-complex_CC
© 2025 The Author(s). This is an Open Access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Final published version, 1.75 MBLicence: CC BY

1 Active
2 Finished

Allan Watson Programme Grant: Boron: Beyond the Reagent
Watson, A. J. B. (PI), Morris, R. E. (CoI), Smith, A. D. (CoI) & Zysman-Colman, E. (CoI)
UK Research and Innovation
1/05/23 → 30/04/28
Project: Standard
H2020 MSC-ITN Eli Zysman-Colman: Photocatalysis as a tool for synthetic organic chemistry (PhotoReAct)
Zysman-Colman, E. (PI)
European Commission
1/01/21 → 31/12/24
Project: Standard
Blue-Emitting Phospors: Blue-emitting Phosphors for Solid State Lighting Applications
Zysman-Colman, E. (PI)
EPSRC
1/06/15 → 30/09/19
Project: Standard

Design, Synthesis and Photophysical properties of an Iridium(III) complex bearing an Indolo[3,2,1-jk]carbazole-decorated NHC ligand (dataset)
Griffin, M. A. (Creator), Mackenzie, C. F. R. (Creator) & Zysman-Colman, E. (Creator), University of St Andrews, 28 Jan 2025
DOI: 10.17630/9b2b2c34-6962-4a9e-b442-8703d46fd477
Dataset

File

Cite this

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title = "Design, synthesis, and photophysical properties of an iridium(III) complex bearing an indolo[3,2,1-jk]carbazole-decorated NHC ligand",

abstract = "The synthesis and characterization of a novel blue-green emitting neutral heteroleptic iridium(III) complex Ir(dFppy)2(iCzmi) (λPL = 505 nm in MeCN) is reported. This represents the first example of an NHC ligand bearing an indolo-[3,2,1-jk]carbazolyl (iCz) unit, and the first use of an iCz containing ligand as the ancillary ligand in a heteroleptic Iridium(III) complex. The influence of the iCz moiety on the photophysical properties of Ir(dFppy)2(iCzmi) is explored by comparing its properties with those of the reference emitter—Ir(dFppy)2(pmi). Both complexes show similar photophysical properties, which are rationalized in terms of a detailed computational study.",

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author = "Maire Griffin and Mackenzie, {Campbell F. R.} and Eli Zysman-Colman",

note = "Funding: The authors would like to thank Johnson Matthey for financial support in the form of an i-CASEaward (PhD studentship to M.G.). The authors thank the University of St Andrews and EPSRC forfinancial support (grants EP/W007517/1 and EP/M02105X/1). We would like to thank theEuropean Union H2020 research and innovation program for the funding under the MarieSk{\l}odowska-Curie Grant Agreement (PhotoReAct, No 956324).",

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AU - Mackenzie, Campbell F. R.

AU - Zysman-Colman, Eli

N1 - Funding: The authors would like to thank Johnson Matthey for financial support in the form of an i-CASEaward (PhD studentship to M.G.). The authors thank the University of St Andrews and EPSRC forfinancial support (grants EP/W007517/1 and EP/M02105X/1). We would like to thank theEuropean Union H2020 research and innovation program for the funding under the MarieSkłodowska-Curie Grant Agreement (PhotoReAct, No 956324).

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Y1 - 2025/1/21

N2 - The synthesis and characterization of a novel blue-green emitting neutral heteroleptic iridium(III) complex Ir(dFppy)2(iCzmi) (λPL = 505 nm in MeCN) is reported. This represents the first example of an NHC ligand bearing an indolo-[3,2,1-jk]carbazolyl (iCz) unit, and the first use of an iCz containing ligand as the ancillary ligand in a heteroleptic Iridium(III) complex. The influence of the iCz moiety on the photophysical properties of Ir(dFppy)2(iCzmi) is explored by comparing its properties with those of the reference emitter—Ir(dFppy)2(pmi). Both complexes show similar photophysical properties, which are rationalized in terms of a detailed computational study.

AB - The synthesis and characterization of a novel blue-green emitting neutral heteroleptic iridium(III) complex Ir(dFppy)2(iCzmi) (λPL = 505 nm in MeCN) is reported. This represents the first example of an NHC ligand bearing an indolo-[3,2,1-jk]carbazolyl (iCz) unit, and the first use of an iCz containing ligand as the ancillary ligand in a heteroleptic Iridium(III) complex. The influence of the iCz moiety on the photophysical properties of Ir(dFppy)2(iCzmi) is explored by comparing its properties with those of the reference emitter—Ir(dFppy)2(pmi). Both complexes show similar photophysical properties, which are rationalized in terms of a detailed computational study.

KW - Iridium

KW - N-heterocyclic carbene ligand

KW - Indolo[3,2,1-jk]carbazole ligand

KW - Photophysics

KW - DFT

U2 - 10.1080/00958972.2025.2453075

DO - 10.1080/00958972.2025.2453075

M3 - Article

SN - 0095-8972

VL - Latest Articles

JO - Journal of Coordination Chemistry

JF - Journal of Coordination Chemistry

ER -

Design, synthesis, and photophysical properties of an iridium(III) complex bearing an indolo[3,2,1-jk]carbazole-decorated NHC ligand

Abstract

Keywords

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Projects

Allan Watson Programme Grant: Boron: Beyond the Reagent

H2020 MSC-ITN Eli Zysman-Colman: Photocatalysis as a tool for synthetic organic chemistry (PhotoReAct)

Blue-Emitting Phospors: Blue-emitting Phosphors for Solid State Lighting Applications

Datasets

Design, Synthesis and Photophysical properties of an Iridium(III) complex bearing an Indolo[3,2,1-jk]carbazole-decorated NHC ligand (dataset)

Cite this