Metal-Free h-BN Catalyst for Hydrogenation via Frustrated Lewis Pairs

Resolve Bottlenecks,
Find Innovative Solutions
Generate Solutions

Solution Overview

Problem

Current hydrogenation catalysts, particularly those based on precious metals like palladium, platinum, and rhodium, are costly and prone to poisoning, leading to catalyst degradation and the incorporation of metal impurities into hydrogenation products, which can be toxic. There is a need for a stable, metal-free hydrogenation catalyst that can efficiently facilitate hydrogenation reactions while avoiding the use of expensive metals.

Innovation Solution

A heterogeneous, metal-free hydrogenation catalyst is developed by mechanically processing hexagonal boron nitride (h-BN) to introduce defects, creating a frustrated Lewis pair (FLP) structure that catalyzes hydrogenation reactions without the use of transition metals. This process involves milling h-BN in the presence of an alkali metal element like lithium to produce a defective surface capable of catalyzing hydrogenation.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Reliability

If precious metals (palladium, platinum, rhodium) are used as hydrogenation catalysts, then catalytic activity is improved, but cost increases and metal leaching occurs

Engineering Contradiction:
Improvecatalytic activityVSAvoidmetal leaching and cost
Core Design Contradiction:
ReliabilityVSObject-generated harmful factors

Solution Approach 1:

The patent replaces expensive precious metals with a cheaper metal-free catalyst system based on frustrated Lewis pairs. The FLP catalyst uses inexpensive organic molecules (boranes and phosphines) that can be regenerated, eliminating the need for costly precious metals while maintaining catalytic functionality for hydrogenation reactions.

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

Solution Approach 2:

The patent substitutes the metal-based catalytic mechanism with a purely organic FLP mechanism. Instead of relying on metal d-orbitals for hydrogen activation, the system uses the interaction between Lewis acidic boron and Lewis basic phosphorus atoms to heterolytically cleave H2 and catalyze hydrogenation, eliminating metal leaching entirely.

Inventive Principle:
Principle #28Mechanics substitution (Replace mechanical system)

2Ease of manufacture

If nickel-based catalysts are used for industrial hydrogenation, then cost is reduced, but catalyst poisoning and degradation occur

Engineering Contradiction:
ImprovecostVSAvoidcatalyst stability
Core Design Contradiction:
Ease of manufactureVSReliability

Solution Approach 1:

The FLP catalyst provides a cheap alternative to nickel-based catalysts while avoiding their susceptibility to poisoning. The organic-based FLP system uses steric bulk and electronic frustration to protect the active sites from deactivation by common poisons, maintaining stability without requiring expensive precious metals.

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

3Object-generated harmful factors

If homogeneous FLP catalysts are used, then metal-free hydrogenation is achieved, but catalyst separation from products is difficult

Engineering Contradiction:
Improvemetal impuritiesVSAvoidcatalyst separation
Core Design Contradiction:
Object-generated harmful factorsVSEase of manufacture

Solution Approach 1:

The patent separates the catalyst into a distinct phase from the reaction mixture, enabling easy separation. By designing the FLP catalyst with appropriate solubility characteristics or immobilizing it on a support, the catalyst remains in a different phase than the organic substrates and products, allowing simple filtration or decantation to separate catalyst from product.

Inventive Principle:
Principle #1Segmentation

4Ease of manufacture

If heterogeneous catalysts are used, then catalyst separation is improved, but catalytic activity may be reduced

Engineering Contradiction:
Improvecatalyst separationVSAvoidcatalytic activity
Core Design Contradiction:
Ease of manufactureVSReliability

Solution Approach 1:

The patent creates localized active sites on the heterogeneous catalyst surface with FLP functionality. By incorporating frustrated Lewis pairs at specific locations on the catalyst surface or within porous structures, the material maintains high catalytic activity at these local sites while the overall heterogeneous structure enables easy separation from the reaction mixture.

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 defective h-BN catalyst exhibits improved stability and selectivity in hydrogenation reactions, reducing metal impurities in products and lowering production costs, while maintaining high catalytic activity and efficiency, thus addressing the limitations of traditional metal-based catalysts.

Implementation Method 1

mechanically processing hexagonal boron nitride (h-BN) to introduce defects

Methodology Applied
Scientific EffectMechanical processing: Mechanical Force

Implementation Method 2

creating a frustrated Lewis pair (FLP) structure that catalyzes hydrogenation reactions

Methodology Applied
Scientific EffectCatalysis: Catalysis

Implementation Method 3

The addition of molecular hydrogen (H2) across an unsaturated organic compound such as an olefin

Methodology Applied
Scientific EffectHydrogenation: Hydrogenation

Implementation Method 4

Frustrated Lewis Pair (FLP) catalysts are potentially useful as one type of metal-free catalyst

Methodology Applied
Scientific EffectFrustrated Lewis pair:

Data Source

PatentEP2928599B1Method to prepare a heterogeneous metal-free catalyst
Publication Date: 2024.06.12 UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION INC
  • EP2928599B1 patent drawingFigure 1
  • EP2928599B1 patent drawingFigure 2~3
  • EP2928599B1 patent drawingFigure 4

AI summary

The inventive concepts disclosed and/or claimed herein relate generally to catalysts and, more particularly, but not by way of limitation, to a heterogeneous, metal-free hydrogenation catalyst containing frustrated Lewis pairs. In one non-limiting embodiment, the heterogeneous, metal-free catalyst comprises hexagonal boron nitride (h-BN) having frustrated Lewis pairs therein.