Titanium Complex Vulcanization Catalysts for Silicone Adhesion

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Solution Overview

Problem

Current titanium-based catalysts for vulcanizing silicon-containing polymers lack sufficient catalytic activity and stability, particularly when used with aminosilanes as adhesion promoters, and result in cured products with low hardness and poor storage stability.

Innovation Solution

A curable composition comprising a polymer with reactive silicon groups and a titanium complex of the formula TiL(OR3)2, where R3 is a C1-20 alkyl or aryl with heteroatoms, and L is a deprotonated tridentate ligand, which is compatible with aminosilanes and enhances catalytic activity and stability.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Productivity

If known titanium compounds are used as condensation catalysts, then catalytic activity is improved, but compatibility with aminosilanes deteriorates

Engineering Contradiction:
Improvecatalytic activityVSAvoidcompatibility with aminosilanes
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent modifies the chemical parameters of titanium catalysts by introducing specific ligand systems (beta-diketonates, carboxylates, and their combinations) and controlling the oxidation state (Ti(III) or Ti(IV)), thereby changing the catalyst's chemical environment to achieve compatibility with aminosilanes while maintaining high catalytic activity

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent creates composite catalyst systems by combining titanium compounds with organic ligands (beta-diketonates, carboxylates, amines, alcohols) to form coordination complexes. These composite structures integrate the high catalytic activity of titanium with the compatibility properties of organic ligands, particularly with aminosilane adhesion promoters

Inventive Principle:
Principle #40Composite materials

2Object-affected harmful factors

If titanium-based catalysts are used to replace tin compounds, then environmental safety is improved, but catalytic activity and stability deteriorate

Engineering Contradiction:
ImprovetoxicityVSAvoidcatalytic activity
Core Design Contradiction:
Object-affected harmful factorsVSProductivity

Solution Approach 1:

The patent optimizes multiple parameters of titanium catalysts including oxidation state (Ti(III) or Ti(IV)), ligand type (beta-diketonates, carboxylates, amines, alcohols), and stoichiometric ratios to achieve catalytic performance comparable to or exceeding traditional tin catalysts, while maintaining the environmental safety advantage of titanium

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The patent uses organic ligands as intermediaries between the titanium metal center and the polymerization system. These ligands mediate the interaction between titanium and aminosilanes, enabling the titanium catalyst to function effectively in systems containing adhesion promoters without direct harmful interactions

Inventive Principle:
Principle #24Intermediary (Mediator)

3Stability of the object's composition

If titanium alkoxides are used as hydrolysis catalysts, then storage stability is improved, but catalytic activity and product hardness deteriorate

Engineering Contradiction:
Improvestorage stabilityVSAvoidcatalytic activity
Core Design Contradiction:
Stability of the object's compositionVSProductivity

Solution Approach 1:

The patent creates composite catalyst systems combining titanium alkoxides with organic ligands (beta-diketonates, carboxylates, amines). This composite structure preserves the storage stability advantage of alkoxides while the organic ligands enhance catalytic activity and final product hardness through improved coordination chemistry

Inventive Principle:
Principle #40Composite materials

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 composition achieves improved catalytic activity and stability, resulting in higher hardness and better storage stability of cured silicone products, making it a suitable alternative to traditional tin-based catalysts.

Implementation Method 1

titanium complexes of formula (2) TiL(OR3)2 wherein each R3 is independently selected from a C1-20 alkyl or aryl which may optionally contain one or more heteroatoms, preferably selected from silicon, sulfur, nitrogen or oxygen atoms, wherein preferably R3 is selected from n-butyl or isopropyl; and L is a deprotonated, tridentate ligand. The invention is further directed to the use of the above-described titanium complexes as catalysts, in particular for curing a silicon-containing polymer by forming siloxane bonds.

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentUS10654987B2Titanium complexes as vulcanization catalysts
Publication Date: 2020.05.19 HENKEL KGAA
  • US10654987B2 patent drawing
  • US10654987B2 patent drawing
  • US10654987B2 patent drawing

AI summary

The invention relates to a curable composition comprising: a) at least one polymer having at least one silicon-containing group of formula —Si(R1)k(Y)3-k as defined herein; b) at least one titanium complex of formula TiL(OR3)2 wherein each R3 is independently selected from a C1-20 alkyl or aryl which may optionally contain one or more heteroatoms, preferably selected from silicon, sulfur, nitrogen or oxygen atoms, wherein preferably R3 is selected from n-butyl or isopropyl, and L is a deprotonated, tridentate ligand, and c) optionally at least one compound which has a hydrolyzable silicon-containing group and a weight average molecular weight in the range of 100 to 1000 g/mol, preparations containing these compositions and use thereof.