Iridium Metal Complex Ligand Design for Narrow Emission

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Solution Overview

Problem

The quantum yield of existing metal complexes used in light emitting devices is insufficient, and their light emission spectra are not fully narrow, affecting the efficiency and performance of these devices.

Innovation Solution

A metal complex represented by specific formulas, containing iridium or platinum atoms with specific ligand structures and functional groups, is developed to enhance quantum yield and narrow the full width at half maximum of the light emission spectrum.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Ease of manufacture

If existing metal complexes with dendron ligands are used, then the device can be manufactured, but the quantum yield is insufficient

Engineering Contradiction:
ImprovemanufacturabilityVSAvoidquantum yield
Core Design Contradiction:
Ease of manufactureVSReliability

Solution Approach 1:

The patent changes the chemical parameters of the ligand system by introducing specific heterocyclic groups (triazole, tetrazole, pyridine) and controlling their substitution patterns. This modifies the electronic properties and coordination geometry of the metal complex, resulting in improved quantum yield while maintaining manufacturability through standard coordination chemistry procedures.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates composite ligand structures combining multiple heterocyclic moieties (e.g., triazole-pyridine combinations) with dendron frameworks. This composite approach allows optimization of both photophysical properties (quantum yield) and structural properties (manufacturability) by integrating functional groups that work synergistically.

Inventive Principle:
Principle #40Composite materials

2Ease of operation

If existing metal complexes are used, then the device can operate, but the full width at half maximum of light emission spectrum is not narrow

Engineering Contradiction:
Improvedevice operationVSAvoidspectral width control
Core Design Contradiction:
Ease of operationVSManufacturing precision

Solution Approach 1:

The patent modifies the spectral emission parameters by designing ligands with specific conjugation lengths and heteroatom compositions. The introduction of triazole and tetrazole groups alters the HOMO-LUMO energy gap and vibrational coupling, resulting in narrower full width at half maximum while preserving device operational characteristics.

Inventive Principle:
Principle #35Parameter changes

3Reliability

If metal complexes with improved quantum yield are designed, then external quantum efficiency improves, but the device complexity increases

Engineering Contradiction:
Improveexternal quantum efficiencyVSAvoidmolecular structure complexity
Core Design Contradiction:
ReliabilityVSDevice complexity

Solution Approach 1:

The patent segments the ligand molecule into distinct functional modules: a metal-chelating core (e.g., acetylacetonate, benzoylacetone), heterocyclic auxiliary groups (triazole, tetrazole, pyridine), and dendron peripheral structures. This modular design enables systematic optimization of quantum efficiency while simplifying synthesis through stepwise assembly of pre-functionalized components.

Inventive Principle:
Principle #1Segmentation

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

The new metal complex exhibits excellent quantum yield and external quantum efficiency, improving the performance of light emitting devices when used in conjunction with a color filter and controlled microcavity, leading to enhanced luminance life and efficiency.

Implementation Method 1

Various phosphorescent compounds showing light emission from the triplet excited state are investigated as a light emitting material used in a light emitting layer of a light emitting device.

Methodology Applied
Scientific EffectPhosphorescence: Phosphorescence

Data Source

PatentEP3093292B1Metal complex and light emitting element using same
Publication Date: 2021.09.08 SUMITOMO CHEM CO LTD
  • EP3093292B1 patent drawingFigure 1
  • EP3093292B1 patent drawingFigure 2
  • EP3093292B1 patent drawing

AI summary

A metal complex represented by the formula (1): [wherein, M represents an iridium atom or a platinum atom. n1 represents 1, 2 or 3. n2 represents 0, 1 or 2. E1 to E4 represent a nitrogen atom or a carbon atom. R1 to R10 represent a hydrogen atom, an alkyl group, a cycloalkyl group, an alkoxy group, a cycloalkoxy group, an aryl group, an aryloxy group, a monovalent heterocyclic group or a halogen atom. At least one selected from the group consisting of R1 to R4 is a group represented by the formula (D-A) or (D-B). Xa and Xb represent a direct bond, an oxygen atom, a sulfur atom, -C(= O)-, -CRXa2- or -NRXa-. RXa represents a hydrogen atom, an alkyl group, a cycloalkyl group, an aryl group or a monovalent heterocyclic group. At least one of Xa and Xb is an oxygen atom, a sulfur atom, -C(= O)-, -CRXa2- or -NRXa-. A1-G1-A2 represents an anionic bidentate ligand, and G1 represents an atomic group constituting a bidentate ligand together with A1 and A2. A1 and A2 each independently represent a carbon atom, an oxygen atom or a nitrogen atom.] [wherein, mDA1 to mDA7 represent an integer of 0 or more. GDA represents an aromatic hydrocarbon group or a heterocyclic group. ArDA1 to ArDA7 represent an arylene group or a divalent heterocyclic group. TDA represents an aryl group or a monovalent heterocyclic group.].