C1-Symmetric Bisindenyl Metallocene Catalysts for Polypropylene

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Solution Overview

Problem

Current metallocene catalysts for polypropylene production face challenges in achieving high selectivity for the anti-isomer, low yield, and high molecular weight with improved melting points, limiting their industrial applicability.

Innovation Solution

Development of new C1-symmetric bisindenyl metallocene catalysts with modified indenyl ligands that enhance selectivity towards the anti-isomer, simplify synthesis, and increase yield, while maintaining high catalytic performance and producing high molecular weight polypropylene homopolymers and copolymers.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Manufacturing precision

If current metallocene catalysts are used for polypropylene production, then catalytic activity is achieved, but selectivity for the anti-isomer is insufficient

Engineering Contradiction:
Improveselectivity for anti-isomerVSAvoidcatalyst structure complexity
Core Design Contradiction:
Manufacturing precisionVSDevice complexity

Solution Approach 1:

The patent applies asymmetry by designing C1-symmetric bisindenyl metallocene catalysts with specific chiral configurations. The catalyst features an asymmetric indenyl ligand with substituents at positions 1, 2, and 6, creating a chiral environment that selectively favors anti-isomer formation during polymerization. This asymmetric structure directly addresses the selectivity issue while maintaining reasonable structural complexity through systematic ligand design.

Inventive Principle:
Principle #4Asymmetry

2Productivity

If current metallocene catalysts are used, then polymerization occurs, but yield is low

Engineering Contradiction:
Improvecatalyst yieldVSAvoidsynthesis complexity
Core Design Contradiction:
ProductivityVSEase of manufacture

Solution Approach 1:

The patent employs parameter changes by systematically varying the substitution pattern on the indenyl ligand. Specific substituents are placed at positions 1, 2, and 6 of the indenyl ring, with particular emphasis on the 6-position substitution. These parameter changes in ligand structure directly improve catalyst yield while the systematic approach to modification keeps the synthesis pathway manageable and scalable.

Inventive Principle:
Principle #35Parameter changes

3Quantity of substance

If catalysts produce high molecular weight polypropylene, then molecular weight increases, but melting point becomes unsuitable

Engineering Contradiction:
Improvemolecular weight of polypropyleneVSAvoidmelting point of polypropylene
Core Design Contradiction:
Quantity of substanceVSTemperature

Solution Approach 1:

The patent applies local quality by introducing specific substituents at localized positions on the indenyl ligand, particularly at the 6-position. These localized structural modifications create specific steric and electronic environments at the catalyst active site, which control the polymerization process to produce high molecular weight polypropylene with appropriate melting points. The local substitution pattern fine-tunes the catalyst's interaction with monomers and growing polymer chains.

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

The new catalysts achieve improved selectivity, yield, and catalytic performance, producing polypropylene with high molecular weight and suitable melting points, making them more industrially viable.

Implementation Method 1

Metallocene catalysts have been used to manufacture polyolefins for many years

Methodology Applied
Scientific EffectCatalysis: Catalysis

Data Source

PatentUS11542346B2Catalysts for olefin polymerization
Publication Date: 2023.01.03 BOREALIS AG
  • US11542346B2 patent drawing
  • US11542346B2 patent drawing
  • US11542346B2 patent drawing

AI summary

New bisindenyl ligand complexes and catalysts comprising those complexes. The invention is directed to improving the manufacturing of specific C1-symmetric bisindenyl complexes by modifying one of the indenyl ligands in order to improve the selectivity of the complex synthesis towards the desired anti-isomer, increase the yield and simplify the purification of the complex. The invention also relates to the use of the new bisindenyl metallocene catalysts for the production of polypropylene homopolymers or propylene copolymers.