We have located links that may give you full text access.
Theoretical investigations on the kinetics of Cl atom initiated reactions of series of 1-alkenes.
Environmental Science and Pollution Research International 2018 Februrary
The temperature-dependent rate coefficients were calculated for the reactions of Cl atoms with propene (R1 ), 1-butene (R2 ), 1-pentene (R3 ), and 1-hexene (R4 ) over the temperature range of 200-400 K. Canonical variational transition state theory (CVT) with small curvature tunneling (SCT) and conventional transition state theory (CTST) in combination with MP2/6-31G(d,p), MP2/6-31G+(d,p), and MP2/6-311 + G(d,p) level of theories were used to calculate the kinetic parameters. The obtained rate coefficients at 298 K for the reactions of Cl atoms with propene, 1-butene, 1-pentene, and 1-hexene are 1.36 × 10-10 cm3 molecule-1 s-1 , 1.53 × 10-10 cm3 molecule-1 s-1 , 4.61 × 10-10 cm3 molecule-1 s-1 , and 4.76 × 10-10 cm3 molecule-1 s-1 , respectively. In all these reactions, strong negative temperature dependence was observed over the studied temperature range. Cl atom addition across the double bond is the most dominant pathway. The contribution of abstraction channels towards their global rate coefficients was observed to be increasing from propene to 1-hexane. Atmospheric implications such as effective lifetimes and thermodynamic parameters of the test molecules were investigated in the present study.
Full text links
Related Resources
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app
All material on this website is protected by copyright, Copyright © 1994-2024 by WebMD LLC.
This website also contains material copyrighted by 3rd parties.
By using this service, you agree to our terms of use and privacy policy.
Your Privacy Choices
You can now claim free CME credits for this literature searchClaim now
Get seemless 1-tap access through your institution/university
For the best experience, use the Read mobile app