A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates-Reference-Cited by-同舟云学术

A theoretical study of the oxidation of benzene by manganese oxide clusters: formation of quinone intermediates

Published:2024 Issue:27 Volume:26 Page:18629-18648
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Vu Giang Huong Thi¹,Phan Thuy Thi²,Nguyen Tho Huu³^ORCID,Le Thang Minh⁴,Nguyen Minh Tho⁵⁶^ORCID,Nguyen Hue Minh Thi¹⁷^ORCID

Affiliation:

1. Faculty of Chemistry and Center for Computational Science, Hanoi National University of Education, Cau Giay, Hanoi, Vietnam

2. Faculty of Chemistry, Vinh University, Vinh City, Vietnam

3. Faculty of Natural Sciences Education, Saigon University, Ho Chi Minh City, Vietnam

4. School of Chemical Engineering, Hanoi University of Science and Technology, Hanoi, Vietnam

5. Laboratory for Chemical Computation and Modeling, Institute for Computational Science and Artificial Intelligence, Van Lang University, Ho Chi Minh City, Vietnam

6. Faculty of Applied Technology, School of Technology, Van Lang University, Ho Chi Minh City, Vietnam

7. Institute of Natural Sciences, Hanoi National University of Education, Cau Giay, Hanoi, Vietnam

Abstract

The association between MnxOy clusters and C6H6 exhibits high affinity, particularly in the presence of Mn2O3, resulting in a notable decrease in the activation energy of the formation the main product p-benzoquinone of the reaction C6H6 + O2.

Funder

Quy Doi moi sang tao Vingroup

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/CP/D3CP05207A

Reference67 articles.

1. The selective catalytic oxidation of toluene

2. Autoxidation of aromatics

3. Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation