Reaction kinetics of 1,4-cyclohexadienes with OH radicals: an experimental and theoretical study-Reference-Cited by-同舟云学术

Reaction kinetics of 1,4-cyclohexadienes with OH radicals: an experimental and theoretical study

Published:2022 Issue:13 Volume:24 Page:7836-7847
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Giri Binod Raj¹^ORCID,V.-T. Mai Tam²³⁴^ORCID,Assali Mohamed⁵,Nguyen Thi T.-D.⁴⁶,Nguyen Hieu T.²,Szőri Milán⁷^ORCID,Huynh Lam K.⁴⁶^ORCID,Fittschen Christa⁵^ORCID,Farooq Aamir¹^ORCID

Affiliation:

1. King Abdullah University of Science and Technology (KAUST), Clean Combustion Research Center, Physical Sciences and Engineering Division, Thuwal 23955-6900, Saudi Arabia

2. Molecular Science and Nano-Materials Lab, Institute for Computational Science and Technology, SBI Building, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City, Vietnam

3. University of Science, Vietnam National University – HCMC, 227 Nguyen Van Cu, Ward 4, District 5, Ho Chi Minh City, Vietnam

4. Vietnam National University – HCMC, Quarter 6, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam

5. Université Lille, CNRS, UMR 8522 – PC2A – Physicochimie des Processus de Combustion et de l’Atmosphère, F-59000 Lille, France

6. International University, Quarter 6, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam

7. Institute of Chemistry, Faculty of Materials Science and Engineering, University of Miskolc, Hungary

Abstract

1,4-cyclohexadiene + OH reaction occurs via forming a complex, except for H-abstraction at vinylic site. Abstraction channels contribute significantly even at room temperature. An unusual negative-T dependence for abstraction at allylic site was observed.

Funder

Institute for Computational Science and Technology

Agence Nationale de la Recherche

Nemzeti Kutatási, Fejlesztési és Innovaciós Alap

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04964J

Reference76 articles.

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