Group 6 Metathesis Catalysts for Low-Loading Stable Conversion
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Solution Overview
Problem
Existing organometallic catalysts for alkene metathesis reactions are unstable and require high molar amounts, leading to high costs and susceptibility to degradation, limiting their industrial applicability.
Innovation Solution
Development of organometallic complexes with specific Group 6 metal atoms and ligand configurations, such as Formula (I) and Formula (II), which are stable and effective at low catalyst concentrations, facilitating efficient metathesis reactions.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Productivity
If existing organometallic catalysts are used in metathesis reactions, then the reactions can proceed, but high molar amounts of catalyst are required leading to high costs and susceptibility to degradation
Solution Approach 1:
The patent modifies the chemical structure parameters of the organometallic catalyst by introducing specific ligand configurations (N^N^C^C type ligands with particular substituent patterns) and metal centers (Group 6 metals like Mo and W) to enhance catalytic activity, allowing effective metathesis reactions at lower catalyst concentrations (0.01-5 mol%) while maintaining high conversion rates
Solution Approach 2:
The patent creates composite organometallic catalyst systems combining specific metal centers (Mo or W) with carefully designed organic ligands containing nitrogen and carbon donors in specific arrangements. This composite structure synergistically enhances catalyst stability and activity, reducing the required catalyst amount while improving productivity
2Reliability
If existing organometallic catalysts are used, then metathesis reactions can be performed, but the catalysts are unstable and susceptible to degradation by atmospheric gases
Solution Approach 1:
The patent designs catalysts with ligand structures that create a protective environment around the metal center, effectively creating a chemical inert shell that shields the reactive organometallic complex from atmospheric gases like oxygen and moisture, thereby enhancing stability and reliability
Solution Approach 2:
The multi-component ligand system (combining nitrogen-donor and carbon-donor units in specific configurations) forms a stable coordination sphere around the metal center, creating a composite structure with enhanced resistance to degradation while maintaining catalytic function
3Productivity
If high molar amounts of catalyst are used to achieve sufficient conversion, then productivity improves, but costs increase due to the expensive nature of these catalysts
Solution Approach 1:
The patent optimizes the catalyst structure parameters including metal selection (Mo or W centers), ligand composition (N^N^C^C type ligands with specific substituents), and coordination geometry to maximize catalytic turnover number (TON) and turnover frequency (TOF), enabling high conversion efficiency at economically viable catalyst loadings
Solution Approach 2:
The patent introduces specific functional groups and electronic properties at localized positions within the ligand structure (such as electron-donating or electron-withdrawing substituents at specific sites) to enhance the electronic environment at the metal center, improving catalytic activity and reducing the required catalyst amount for cost-effective operations
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 organometallic complexes provide high conversion rates and stability, making them suitable for industrial-scale applications with reduced catalyst usage.
Implementation Method 1
the organometallic complexes disclosed herein catalyze a metathesis reaction between olefinically unsaturated compounds
Data Source
AI summary
The disclosure provides Group 6 complexes, which, in some embodiments, are useful for catalyzing olefin metathesis reactions. In some embodiments, the compounds are compounds of the following formula: wherein: M is a Group 6 metal atom; X is an oxygen atom, =N-R5, =N-N(R5)(R5') or =N-0-R5, R5 and R5' independently being various substituents, such as aryl or heteroaryl, each optionally substituted; n is 0 or 1; Rz is a neutral ligand; R1 is hydrogen or an organic substituent; R2 is an aryl or heteroaryl group, each optionally substituted; R3 is an anionic ligand; and R4 is an anionic ligand, such as a pyrrolide, a pyrazolide, an imidazolide, an indolide, an azaindolide, or an indazolide, each optionally substituted.