Titanium Amide Catalysts for Siloxane Bonding

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Solution Overview

Problem

Current titanium-based catalysts for curing silicon-containing polymers lack sufficient catalytic activity and stability, particularly when used with aminosilanes as adhesion promoters, resulting in suboptimal storage stability and hardness of cured products.

Innovation Solution

Development of curable compositions comprising specific titanium compounds, such as Ti(OR4)3(NX2)m and Ti(R3)(L)3, which are compatible with aminosilanes and enhance catalytic activity, stability, and crosslinking efficiency, forming siloxane bonds in silicon-containing polymers.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If known titanium compounds are used as condensation catalysts, then catalytic activity is provided, but stability and compatibility with aminosilanes are insufficient

Engineering Contradiction:
ImprovestabilityVSAvoidcompatibility with aminosilanes
Core Design Contradiction:
ReliabilityVSEase of manufacture

Solution Approach 1:

The patent modifies the chemical structure of titanium catalysts by changing ligand parameters - specifically using amide ligands (NX2) instead of traditional alkoxide ligands. This parameter change in the catalyst structure improves compatibility with aminosilanes while maintaining catalytic activity and enhancing storage stability.

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The invention creates composite catalyst structures combining titanium center with specific amide ligands and hydrolyzable groups. This composite approach integrates multiple functional properties - catalytic activity from titanium, stability from amide ligands, and compatibility with aminosilanes - into a single catalyst molecule.

Inventive Principle:
Principle #40Composite materials

2Productivity

If traditional titanium esters are used as catalysts, then curing is enabled, but catalytic activity and storage stability are insufficient

Engineering Contradiction:
Improvecatalytic activityVSAvoidstorage stability
Core Design Contradiction:
ProductivityVSReliability

Solution Approach 1:

The patent changes the ligand parameters from simple alkoxides to amide ligands with specific structural features. This parameter modification enhances both catalytic activity through improved substrate interaction and storage stability through stronger Ti-N bonding compared to Ti-O bonds in traditional esters.

Inventive Principle:
Principle #35Parameter changes

3Reliability

If organotin compounds are used as catalysts, then excellent storage stability and curing performance are achieved, but toxicological concerns arise

Engineering Contradiction:
Improvestorage stabilityVSAvoidtoxicity
Core Design Contradiction:
ReliabilityVSObject-affected harmful factors

Solution Approach 1:

The patent replaces persistent organotin compounds with titanium-based catalysts that can be more easily disposed of or degraded. While the titanium catalyst serves its function, it presents lower long-term environmental and toxicological concerns compared to organotin compounds, allowing for safer end-of-life handling.

Inventive Principle:
Principle #27Cheap short-living objects (Disposable)

Solution Approach 2:

The invention converts the historical advantage of organotin compounds (excellent stability) into a design target for titanium catalysts, while transforming the disadvantage (toxicity) into a motivation for selecting environmentally benign titanium-based alternatives with appropriate ligand design to achieve comparable stability.

Inventive Principle:
Principle #22Blessing in disguise (Convert harm into benefit)

4Productivity

If known titanium catalysts are used, then curing is facilitated, but hardness of cured products is low

Engineering Contradiction:
Improvecuring efficiencyVSAvoidhardness of cured products
Core Design Contradiction:
ProductivityVSStrength

Solution Approach 1:

The patent modifies catalyst structure parameters - specifically incorporating amide ligands with specific electronic and steric properties - to optimize the curing process. These parameter changes promote more effective crosslinking reactions that generate higher hardness in the cured products while maintaining good curing efficiency.

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

The proposed titanium compounds demonstrate improved catalytic activity and stability, leading to enhanced storage stability and increased hardness of cured products, addressing the limitations of existing titanium-based catalysts.

Implementation Method 1

titanium-based hydrolysis catalysts

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 2

silicon-containing groups of formula (1) —Si(R1)k(Y)3-k where each Y is independently a hydroxy group or a hydrolyzable group

Methodology Applied
Scientific EffectHydrolysis: Hydrolysis

Implementation Method 3

curing polymers containing reactive silicon groups, which meet the above-described requirements, i.e., which have sufficient catalytic activity and stability and which are compatible with the aminosilanes customarily used as adhesion promoters

Methodology Applied
Scientific EffectCondensation: Condensation

Data Source

PatentUS10273335B2Titanium complexes as vulcanization catalysts
Publication Date: 2019.04.30 HENKEL KGAA

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 compound of formula Ti(L)n(NX2)m or Ti(R3)(L)3, where each X is independently a hydrogen atom, a hydrocarbon radical containing 1 to 20 C atoms, which may optionally contain one or more heteroatoms, in particular nitrogen atoms, or a silicon-containing organic group, or two X together with the nitrogen atom to which they are bound form a heterocyclic ring; each L is independently a hydrolyzable oxygen- or nitrogen-containing organic group, in particular an alkoxy group; R3 is a hydrocarbon radical containing 1 to 20 C atoms, which may optionally contain one or more heteroatoms, in particular silicon atoms; and m is 1, 2, 3, or 4 and and n is 0, 1, 2, or 3, where m+n=4; and c) optionally at least one compound which has a hydrolyzable silicon-containing group and a molecular weight in the range of 100 to 1000 g/mol, preparations containing these compositions and use thereof.