Detailed kinetics of tetrafluoroethene ozonolysis
Author:
Affiliation:
1. Molecular Science and Nano-Materials Lab
2. Institute for Computational Science and Technology
3. Ho Chi Minh City
4. Vietnam
5. University of Science
6. International University
7. Vietnam National University – HCMC
Abstract
The reaction mechanism was explored at the CCSD(T)/CBS//B3LYP/aug-cc-pVTZ level. Detailed kinetic analysis was firstly carried out using an ME/RRKM rate model with the inclusion of anharmonic and tunneling treatments. 1,3-Cycloaddition is found to be the rate-determining step. Calculated rate constants confirm the latest experimental data.
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/C8CP05386C
Reference88 articles.
1. Kinetics and mechanisms of the gas-phase reactions of ozone with organic compounds under atmospheric conditions
2. R. Atkinson , J. Phys. Chem. Ref. Data , 1994, Monograph No. 2
3. Introduction: Atmospheric ChemistryLong-Term Issues
4. Energetic Oxygen in the Upper Atmosphere and the Laboratory
5. Mechanisms of Difluoroethylene Ozonolysis: A Density Functional Theory Study
Cited by 4 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. Kinetics and mechanism of ozone addition to tetrafluoroethylene and hexafluoropropylene;Russian Chemical Bulletin;2021-01
2. Kinetics of hydrogen abstraction from desflurane by OH and Cl radicals – A theoretical study;Chemical Physics Letters;2019-08
3. Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study;Physical Chemistry Chemical Physics;2019
4. Ab initio chemical kinetics of the CH2OO + C2F4 reaction;Chemical Physics Letters;2018-08
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3