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Sharpless Epoxidation02:57

Sharpless Epoxidation

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The conversion of allylic alcohols into epoxides using the chiral catalyst was discovered by K. Barry Sharpless and is known as Sharpless epoxidation. The use of a chiral catalyst enables the formation of one enantiomer of the product in excess. This chiral catalyst is mainly a chiral complex of titanium tetraisopropoxide and tartrate ester (specific stereoisomer). The stereoisomer used in the chiral catalyst dictates the formation of the enantiomer of the product. In other words, the use of...
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Olefin Metathesis Polymerization: Overview01:13

Olefin Metathesis Polymerization: Overview

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Recently, the development of olefin metathesis polymerization advanced the field of polymer synthesis. Simply put, the reorganization of substituents on their double bonds between two olefins in the presence of a catalyst is known as the olefin metathesis reaction. The use of metathesis reaction for polymer synthesis is called olefin metathesis polymerization.
Ruthenium-based Grubbs catalyst is the most commonly used catalyst for olefin metathesis polymerization. Grubbs catalyst consists...
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Oxidation of Alkenes: Syn Dihydroxylation with Potassium Permanganate02:21

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Alkenes can be dihydroxylated using potassium permanganate.  The method encompasses the reaction of an alkene with a cold, dilute solution of potassium permanganate under basic conditions to form a cis-diol along with a brown precipitate of manganese dioxide.
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Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control01:23

Electrophilic Addition of HX to 1,3-Butadiene: Thermodynamic vs Kinetic Control

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The addition of a hydrogen halide to 1,3-butadiene gives a mixture of 1,2- and 1,4-adducts. Since more substituted alkenes are more stable, the 1,4-adduct is expected to be the major product. However, the product distribution is strongly influenced by temperature; low temperature favors the 1,2-adduct, whereas the 1,4-adduct is predominant at high temperature.
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Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

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Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the...
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Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide02:44

Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide

11.0K
Alkenes are converted to 1,2-diols or glycols through a process called dihydroxylation. It involves the addition of two hydroxyl groups across the double bond with two different stereochemical approaches, namely anti and syn. Dihydroxylation using osmium tetroxide progresses with syn stereochemistry.
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Updated: Oct 3, 2025

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
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High-Performance Styrene Epoxidation with Vacancy-Defect Cobalt Single-Atom Catalysts.

Boqian Jia1, Lei Bai1, Zheng Han1

  • 1State Key Laboratory of Photoelectric Technology and Functional Materials, International Collaborative Center on Photoelectric Technology and Nano Functional Materials, Institute of Photonics and Photon-Technology, Northwest University, Xi'an 710069, Shaanxi, China.

ACS Applied Materials & Interfaces
|February 18, 2022
PubMed
Summary

Cobalt single-atom catalysts (SACs) show high selectivity for styrene oxide production in styrene epoxidation. Optimizing cobalt SACs with defects significantly boosts conversion and selectivity, achieving 99.9% conversion and 71% selectivity.

Keywords:
cobaltsingle-atom catalystsstyrene epoxidationsstyrene oxidetert-butyl hydroperoxide

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Area of Science:

  • Catalysis
  • Materials Science
  • Organic Chemistry

Background:

  • Styrene epoxidation is crucial for producing styrene oxide, a valuable chemical intermediate.
  • Developing highly active and cost-effective catalysts for styrene epoxidation remains a significant challenge.
  • Simultaneously achieving high conversion and selectivity is difficult for existing catalytic systems.

Purpose of the Study:

  • To investigate the catalytic performance of Co, Fe, and Cu single-atom catalysts (SACs) for styrene epoxidation.
  • To predict and verify the structures and activities of these SACs using computational and experimental methods.
  • To enhance catalyst performance through defect engineering.

Main Methods:

  • Density functional theory (DFT) calculations were employed to predict catalyst structures and performance.
  • Catalytic evaluations were conducted to verify the theoretical predictions.
  • Unsaturated vacancy-defect cobalt single sites were constructed to improve catalyst activity.

Main Results:

  • DFT calculations predicted superior performance of Co-N structures for styrene oxide selectivity compared to Fe-N and Cu-N.
  • Experimental results confirmed that Co SACs exhibit significantly higher styrene oxide selectivity than Fe and Cu SACs.
  • The optimal Co SAC with defects achieved 99.9% styrene conversion and 71% styrene oxide selectivity within 8 hours.

Conclusions:

  • Cobalt single-atom catalysts are highly effective for styrene epoxidation, offering excellent selectivity towards styrene oxide.
  • Defect engineering, specifically unsaturated vacancy-defect cobalt single sites, can further enhance the activity and performance of Co SACs.
  • The developed optimal Co SAC presents a promising, high-performance catalytic system for industrial styrene epoxidation.