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Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

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The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...

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Introduction
Like alkenes, alkynes can be reduced to alkanes in the presence of transition metal catalysts such as Pt, Pd, or Ni. The reaction involves two sequential syn additions of hydrogen via a cis-alkene intermediate.

Catalysis

Catalysis

The presence of a catalyst affects the rate of a chemical reaction. A catalyst is a substance that can increase the reaction rate without being consumed during the process. A basic comprehension of a catalysts’ role during chemical reactions can be understood from the concept of reaction mechanisms and energy diagrams.

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Synthesis and Testing of Supported Pt-Cu Solid Solution Nanoparticle Catalysts for Propane Dehydrogenation

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Combined spectroscopic and computational study for optimising catalyst design in hydrocarbon transformations.

Matthew E Potter¹, J J M Le Brocq¹, A E Oakley¹

¹School of Chemistry, University of Southampton, Southampton, SO17 1BJ, UK. M.E.Potter@soton.ac.uk.

Chemical Communications (Cambridge, England)

|September 2, 2022

Summary

Understanding how n-butane interacts with mordenite zeolite reveals critical insights into hydrocarbon transformations. Solid-acid sites induce a conformer change, key for designing optimized catalysts.

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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

Area of Science:

Catalysis science
Materials science
Physical chemistry

Background:

Hydrocarbon transformations are vital in chemical industries.
Catalyst performance relies on molecular interactions within pores.
Zeolites are important heterogeneous catalysts.

Purpose of the Study:

To investigate the interactions between n-butane and mordenite zeolite.
To understand how solid-acid sites influence hydrocarbon behavior.
To provide insights for designing improved hydrocarbon catalysts.

Main Methods:

Inelastic neutron scattering (INS) was employed to probe molecular dynamics.
Density Functional Theory (DFT) calculations were used to model interactions.
Combined experimental and computational approach.

Main Results:

Observed specific molecular interactions of n-butane within mordenite pores.
Identified that solid-acid sites induce a conformational change in n-butane.
Quantified the influence of zeolite structure on hydrocarbon behavior.

Conclusions:

The conformer change induced by solid-acid sites is crucial for hydrocarbon transformations.
Findings offer a pathway for optimizing zeolite catalysts.
This study advances the understanding of structure-activity relationships in catalysis.