IMR OpenIR
How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine
Yu, A. Y.; Hu, Q. M.; Yang, R.; Yu, AY (reprint author), Chinese Acad Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
2016-03-01
Source PublicationKINETICS AND CATALYSIS
ISSN0023-1584
Volume57Issue:2Pages:145-153
AbstractA theoretical investigation of the reaction mechanism and kinetics of the reaction between chloromethanes CH4-x Cl (x) (x = 1-3) and chlorine atoms was performed. The height of the reaction barrier was found to decrease with the degree of substitution of chloromethanes with atomic chlorine. A direct dynamics method was employed to study the kinetic nature of these hydrogen-abstraction reactions. The sequence of calculated reaction rate coefficients is: k(CH3Cl + Cl) < k(CH2Cl2 + Cl) < k(CHCl3 + Cl).
description.department[yu, a. y. ; hu, q. m. ; yang, r.] chinese acad sci, inst met res, 72 wenhua rd, shenyang 110016, liaoning, peoples r china
KeywordRate Coefficients Variational Transition State Theory Hydrogen Abstraction Reaction Pathway
Subject AreaChemistry
Funding OrganizationNational Natural Science Foundation of China [50631030]
Indexed Bysci
Language英语
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/75935
Collection中国科学院金属研究所
Corresponding AuthorYu, AY (reprint author), Chinese Acad Sci, Inst Met Res, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
Recommended Citation
GB/T 7714
Yu, A. Y.,Hu, Q. M.,Yang, R.,et al. How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine[J]. KINETICS AND CATALYSIS,2016,57(2):145-153.
APA Yu, A. Y.,Hu, Q. M.,Yang, R.,&Yu, AY .(2016).How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine.KINETICS AND CATALYSIS,57(2),145-153.
MLA Yu, A. Y.,et al."How does the extent of substitution of methane with chlorine influence the mechanism and kinetics of the reactions between chloromethanes and atomic chlorine".KINETICS AND CATALYSIS 57.2(2016):145-153.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Yu, A. Y.]'s Articles
[Hu, Q. M.]'s Articles
[Yang, R.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Yu, A. Y.]'s Articles
[Hu, Q. M.]'s Articles
[Yang, R.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Yu, A. Y.]'s Articles
[Hu, Q. M.]'s Articles
[Yang, R.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.