Bis(phenolate) Transition Metal Catalysts for High-Tacticity Olefin Polymerization

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

There is a need for new catalyst systems that can produce high molecular weight and/or high tacticity polymers at high process temperatures, as existing catalysts for olefin polymerization do not effectively achieve these properties.

Innovation Solution

Transition metal complexes with a dianionic, tridentate ligand featuring a central neutral heterocyclic Lewis base and two phenolate donors, which coordinate to form two eight-membered rings, are used to create catalyst systems for olefin polymerization, enhancing polymer properties.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If conventional olefin polymerization catalysts are used, then polymerization can proceed, but high molecular weight and high tacticity polymers cannot be effectively produced at high process temperatures

Engineering Contradiction:
Improvepolymer tacticityVSAvoidprocess temperature
Core Design Contradiction:
Manufacturing precisionVSTemperature

Solution Approach 1:

The patent modifies the catalyst structure by introducing a specific bis(phenolate) ligand system with particular steric and electronic properties. This changes the catalyst's parameters to enable it to maintain high activity and selectivity at elevated temperatures, thereby producing high tacticity polymers at high process temperatures where conventional catalysts fail

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The catalyst system combines a transition metal center with a specially designed bis(phenolate) ligand framework, creating a composite catalytic system. This composite structure integrates the metal's catalytic activity with the ligand's steric control, enabling simultaneous achievement of high polymerization temperature tolerance and high tacticity production

Inventive Principle:
Principle #40Composite materials

2Strength

If conventional catalysts are used, then polymerization can occur, but high molecular weight polymers are not effectively produced

Engineering Contradiction:
Improvepolymer molecular weightVSAvoidcatalyst activity
Core Design Contradiction:
StrengthVSProductivity

Solution Approach 1:

The patent optimizes catalyst parameters including metal selection (groups 3-6 or lanthanides), ligand substitution patterns, and steric bulk to create a catalyst that produces high molecular weight polymers while maintaining high productivity. The specific bis(phenolate) ligand design prevents premature chain termination and maintains catalyst activity

Inventive Principle:
Principle #35Parameter changes

Solution Approach 2:

The catalyst design incorporates localized steric control through specific substituents on the phenolate rings (such as adamantyl or other bulky groups at ortho positions). This local steric environment controls the polymerization process to favor high molecular weight formation while maintaining overall catalyst productivity

Inventive Principle:
Principle #3Local quality

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

These catalyst systems effectively produce high molecular weight and high tacticity polymers at high temperatures, improving the industrial production of polyolefins by enhancing catalyst productivity and activity.

Implementation Method 1

Transition metal complexes with a dianionic, tridentate ligand featuring a central neutral heterocyclic Lewis base and two phenolate donors, which coordinate to form two eight-membered rings

Methodology Applied
Scientific EffectCoordination:

Implementation Method 2

These catalyst systems effectively produce high molecular weight and high tacticity polymers at high temperatures, improving the industrial production of polyolefins by enhancing catalyst productivity and activity

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentUS11254763B2Transition metal bis(phenolate) complexes and their use as catalysts for olefin polymerization
Publication Date: 2022.02.22 EXXONMOBIL CHEMICAL PATENTS INC
  • US11254763B2 patent drawing
  • US11254763B2 patent drawing
  • US11254763B2 patent drawing

AI summary

This invention relates to transition metal complexes of a dianionic, tridentate ligand that features a central neutral heterocyclic Lewis base and two phenolate donors, where the tridentate ligand coordinates to the metal center to form two eight-membered rings. Preferably the bis(phenolate) complexes are represented by Formula (I):where M, L, X, m, n, E, E′, Q, R1, R2, R3, R4, R1′, R2′, R3′, R4′, A1, A1′,are as defined herein, where A1QA1′ are part of a heterocyclic Lewis base containing 4 to 40 non-hydrogen atoms that links A2 to A2′ via a 3-atom bridge with Q being the central atom of the 3-atom bridge.