Abstract
The atmospheric chemistry of pyridine and methylpyridine (picoline) are important because of its presence in the atmosphere from industrial sources and also from the coal combustion. Theoretical investigations are carried out on the mechanism, kinetics and thermochemistry for the reaction between methylpyridine [C 5H 4(CH 3)N, picoline] and atomic chlorine (Cl) using the hybrid density functional model BB1K. Thermodynamic and kinetic parameters for addition of Cl to N-atom of picoline as well as to ring carbon sites and hydrogen abstraction reactions from all the potential sites are calculated. This helps to identify the most reactive reaction channels in different temperature range.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
