Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications-Reference-Cited by-同舟云学术

Atmospheric oxidation reactions of imidazole initiated by hydroxyl radicals: kinetics and mechanism of reactions and atmospheric implications

Published:2019 Issue:16 Volume:21 Page:8445-8456
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Safaei Zahra¹²³⁴⁵^ORCID,Shiroudi Abolfazl⁶⁷⁸⁹¹⁰^ORCID,Zahedi Ehsan¹¹¹²⁸¹³¹⁰^ORCID,Sillanpää Mika¹²³⁴⁵^ORCID

Affiliation:

1. Department of Green Chemistry

2. LUT University

3. Sammonkatu 12

4. FI-50130 Mikkeli

5. Finland

6. Young Researchers and Elite Club

7. East Tehran Branch

8. Islamic Azad University

9. Tehran

10. Iran

11. Chemistry Department

12. Shahrood Branch

13. Shahrood

Abstract

The atmospheric oxidation mechanism of imidazole initiated by hydroxyl radicals is investigated via OH-addition and H-abstraction pathways by quantum chemistry calculations at the M06-2X/aug-cc-pVTZ level of theory coupled with reaction kinetics calculations using statistical Rice–Ramsperger–Kassel–Marcus (RRKM) theory and transition state theory (TST).

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00632J

Reference54 articles.

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4. Kinetics and mechanism of the gas phase reaction of hydroxyl radicals with aromatic hydrocarbons over the temperature range 296-473 K

5. Kinetic study for the reactions of OH radicals with dimethylsulfide, diethylsulfide, tetrahydrothiophene, and thiophene

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