Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications-Reference-Cited by-同舟云学术

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

Published:2018 Issue:16 Volume:20 Page:10806-10814
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Monge-Palacios M.¹²³⁴^ORCID,Rissanen Matti P.⁵⁶⁷⁸,Wang Zhandong¹²³⁴,Sarathy S. Mani¹²³⁴^ORCID

Affiliation:

1. King Abdullah University of Science and Technology

2. Clean Combustion Research Center

3. Thuwal 23955-6900

4. Saudi Arabia

5. Department of Physics

6. University of Helsinki

7. Helsinki

8. Finland

Abstract

We performed a theoretical study on the double hydrogen shift isomerization reaction of a six carbon atom Criegee intermediate (C6-CI), catalyzed by formic acid (HCOOH), to produce vinylhydroperoxide (VHP), C6-CI + HCOOH → VHP + HCOOH.

Funder

King Abdullah University of Science and Technology

Suomen Akatemia

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP08538A

Reference30 articles.

1. Mechanism of Ozonolysis

2. The gas-phase ozonolysis of unsaturated volatile organic compounds in the troposphere

3. A large source of low-volatility secondary organic aerosol

4. Formation of highly oxidized multifunctional compounds: autoxidation of peroxy radicals formed in the ozonolysis of alkenes – deduced from structure–product relationships

Cited by 21 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effect of formic acid on O₂ + OH˙CHOH → HCOOH + HO₂ reaction under tropospheric condition: kinetics of cis and trans isomers;Physical Chemistry Chemical Physics;2023

2. Photoionization energetics and dissociation pathways of hydroperoxyethyl formate produced in the reaction of CH3CHOO + formic acid;Chemical Physics Letters;2022-12

3. Identification of Torsional Modes in Complex Molecules Using Redundant Internal Coordinates: The Multistructural Method with Torsional Anharmonicity with a Coupled Torsional Potential and Delocalized Torsions;Journal of Chemical Theory and Computation;2022-11-28

4. Diethyl ether oxidation: Revisiting the kinetics of the intramolecular hydrogen abstraction reactions of its primary and secondary peroxy radicals;Fuel;2022-10

5. Effect of Water and Formic Acid on ·OH + CH4 Reaction: An Ab Initio/DFT Study;Catalysts;2022-01-21