2021
DOI: 10.21203/rs.3.rs-433706/v1
|View full text |Cite
Preprint
|
Sign up to set email alerts
|

Atmospheric Chlorine Reaction with N-Methyl-2-Pyrrolidinone (NMP)

Abstract: Density functional theory (DFT) and Complete Basis Scale methods (CBS-QB3, G3B3) are used to investigate the reactivity, the mechanism, structure-reactivity relationship and the kinetics of N-methyl-2-pyrrolidinone (NMP) with Cl atom. To obtain rate constants of the reaction, the RRKM theory is employed at atmospheric pressure and temperature range 273–380 K. This study provides the rate coefficients and detailed H-abstraction mechanism for the reaction of Cl with NMP at high level of theoretical methods. The … Show more

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

0
0
0

Publication Types

Select...

Relationship

0
0

Authors

Journals

citations
Cited by 0 publications
references
References 32 publications
0
0
0
Order By: Relevance

No citations

Set email alert for when this publication receives citations?