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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.

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

Reduction of Alkenes: Asymmetric Catalytic Hydrogenation

Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
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...

E1 Reaction: Kinetics and Mechanism

E1 Reaction: Kinetics and Mechanism

Here, in contrast to the E2 reaction mechanism, we delve into the aspects of the E1 reaction mechanism, which has two steps: rate-limiting loss of the leaving group and abstraction of the beta hydrogen by a weak base. Typically, the experimental proof for the E1 mechanism is via kinetic studies or isotope studies. While the former demonstrates the first-order kinetics—the dependence of the reaction solely on substrate concentration—the latter proves the abstraction of hydrogen only...

Catalytically Perfect Enzymes

Catalytically Perfect Enzymes

The theory of catalytically perfect enzymes was first proposed by W.J. Albery and J. R. Knowles in 1976. These enzymes catalyze biochemical reactions at high-speed. Their catalytic efficiency values range from 108-109 M-1s-1. These enzymes are also called 'diffusion-controlled' as the only rate-limiting step in the catalysis is that of the substrate diffusion into the active site. Examples include triose phosphate isomerase, fumarase, and superoxide dismutase.

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Properties of Organometallic Compounds

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E2 Reaction: Kinetics and Mechanism

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SN2 substitutions and E2 eliminations of alkyl halides proceed via a concerted pathway. While the nucleophile attacks the alpha carbon in SN2 reactions, it functions as a strong base and abstracts a beta hydrogen in the E2 mechanism. The rate-limiting transition state in E2 elimination reactions is characterized by partially broken carbon–hydrogen and carbon–halogen bonds and a partially formed pi bond between the alpha and beta carbons. The beta hydrogen and halide are eliminated...

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Related Experiment Video

Updated: Sep 5, 2025

Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes

Catalytic Reactions at Amine-Stabilized and Ligand-Free Platinum Nanoparticles Supported on Titania During Hydrogenation of Alkenes and Aldehydes

Published on: June 24, 2022

Theoretical Perspectives in Organocatalysis.

Nika Melnyk¹, Iñigo Iribarren¹, Eric Mates-Torres¹

¹School of Chemistry, Trinity College Dublin, College Green, Dublin, 2, Ireland.

Chemistry (Weinheim an Der Bergstrasse, Germany)

|July 6, 2022

Summary

Organocatalysis research is advancing with computational methods offering economic catalyst design. This review covers the evolution from manual to machine-driven approaches in theoretical organocatalysis.

Keywords:

asymmetric organocatalysis computational design computationally-led catalyst design organocatalysts prediction

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Area of Science:

Organocatalysis
Computational Chemistry
Catalyst Design

Background:

Organocatalysis has seen continuous expansion in recent decades.
Computational methods offer an economic approach to explore chemical systems.
Novel strategies are increasingly employed for catalyst design.

Approach:

This review provides an overview of state-of-the-art studies in organocatalysis.
It discusses the evolution of theoretical approaches used in the field.
The review contrasts traditional manual-driven methods with recent machine-driven strategies.

Key Points:

Computational power and techniques enable economic exploration of chemical systems.
The field is moving towards data-driven and machine-learning-based catalyst design.
Understanding the evolution of theoretical approaches is crucial for future advancements.

Conclusions:

Computational methods are transforming catalyst design in organocatalysis.
The shift from manual to machine-driven approaches represents a significant evolution.
This review highlights the current landscape and future directions in theoretical organocatalysis.