Halogen-Crosslinked Iridium Dimer Synthesis via Parameter Control

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Solution Overview

Problem

Conventional methods for producing halogen-crosslinked iridium dimers as precursors for cyclometalated iridium complexes face challenges in achieving high yield and purity, particularly when using iridium trichloride as a starting material, leading to impurities and inefficient synthesis processes.

Innovation Solution

A method involving the reaction of an iridium compound with a β-diketonate and an aromatic bidentate ligand in a solvent under specific conditions, including temperature and molar ratio control, to produce a halogen-crosslinked iridium dimer with improved yield and purity.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of manufacture

If iridium trichloride is used as a starting material to produce halogen-crosslinked iridium dimer, then the synthesis process is simple, but the yield and purity of the product are poor

Engineering Contradiction:
Improvesynthesis process simplicityVSAvoidproduct purity
Core Design Contradiction:
Ease of manufactureVSManufacturing precision

Solution Approach 1:

The patent changes the chemical parameters of the starting material from iridium trichloride to bis(acetylacetonato)dichloroiridium(III) acid sodium. This parameter change in the starting material composition enables both high yield and high purity of the halogen-crosslinked iridium dimer product, resolving the contradiction between ease of manufacture and manufacturing precision.

Inventive Principle:
Principle #35Parameter changes

2Ease of manufacture

If iridium trichloride is used as a starting material, then the synthesis process is straightforward, but the yield of halogen-crosslinked iridium dimer is low

Engineering Contradiction:
Improvesynthesis process straightforwardnessVSAvoidproduct yield
Core Design Contradiction:
Ease of manufactureVSProductivity

Solution Approach 1:

The patent modifies the starting material parameter from iridium trichloride to bis(acetylacetonato)dichloroiridium(III) acid sodium. This parameter change directly improves the productivity by achieving high yield of the halogen-crosslinked iridium dimer while maintaining a straightforward synthesis process.

Inventive Principle:
Principle #35Parameter changes

3Ease of manufacture

If conventional methods are used to produce halogen-crosslinked iridium dimer, then the process is established, but the purity of the product is unsatisfactory

Engineering Contradiction:
Improveprocess establishmentVSAvoidproduct purity
Core Design Contradiction:
Ease of manufactureVSManufacturing precision

Solution Approach 1:

The patent changes the chemical composition parameter of the starting material to bis(acetylacetonato)dichloroiridium(III) acid sodium. This parameter change resolves the contradiction by enabling the production of high-purity halogen-crosslinked iridium dimer through an established and easy synthesis process.

Inventive Principle:
Principle #35Parameter changes

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

This approach results in a high-purity halogen-crosslinked iridium dimer, facilitating the production of cyclometalated iridium complexes with enhanced efficiency and purity for applications in organic electroluminescent devices and other phosphorescent materials.

Implementation Method 1

reacting an iridium compound (I) with an aromatic bidentate ligand (2) in a solvent to produce a halogen-crosslinked iridium dimer (3)

Methodology Applied
Scientific EffectChemical Bonding: Chemical Bonding

Data Source

PatentEP3476856B1Method for producing halogen-crosslinked iridium dimer
Publication Date: 2023.09.27 NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE & TECHNOLOGY
  • EP3476856B1 patent drawing
  • EP3476856B1 patent drawing
  • EP3476856B1 patent drawing

AI summary

Provided is a method for producing a halogen-crosslinked iridium dimer, including reacting an iridium compound represented by the general formula (1) with an aromatic bidentate ligand in a solvent to produce a halogen-crosslinked iridium dimer, the solvent having a boiling point of 50°C or higher and lower than 350°C, the reaction being carried out at a reaction temperature of 50°C or higher and lower than 300°C, and the aromatic bidentate ligand being added in an amount of 0.5 times or more and less than 10 times the molar amount of the iridium compound. The halogen-crosslinked iridium dimer is usable as a precursor of a cyclometalated iridium complex useful as a phosphorescent material.