Measurements of absolute rate coefficients for the reactions of CN radicals with H2O, H2, and CO2 in the temperature range 295 K≤T≤1027 K

1989 ◽  
Vol 22 (1) ◽  
pp. 1093-1100 ◽  
Author(s):  
A. Jacobs ◽  
M. Wahl ◽  
R. Weller ◽  
J. Wolfrum
1975 ◽  
Vol 15 (1) ◽  
pp. 765-773 ◽  
Author(s):  
E.A. Albers ◽  
K. Hoyermann ◽  
H. Schacke ◽  
K.J. Schmatjko ◽  
H.Gg. Wagner ◽  
...  

2017 ◽  
Author(s):  
Siripina Vijayakumar ◽  
Avinash Kumar ◽  
Balla Rajakuma

Abstract. Temperature dependent rate coefficients for the gas phase reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one were measured over the temperature range of 298–363 K relative to 1-pentene, 1,3-butadiene and isoprene. Gas Chromatography (GC) was used to measure the concentrations of the organics. The derived temperature dependent Arrhenius expressions are k4-hexen-3-one+Cl (298–363 K) = (2.82 ± 1.76)×10−12exp [(1556 ± 438)/T] cm3 molecule−1 s−1 and k5-hexen-2-one+Cl (298–363 K) = (4.6 ± 2.4)×10−11exp[(646 ± 171)/T] cm3 molecule−1 s−1. The corresponding room temperature rate coefficients are (5.54 ± 0.41)×10−10 cm3 molecule−1 s−1 and (4.00 ± 0.37)×10−10 cm3 molecule−1 s−1 for the reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one respectively. To understand the mechanism of Cl atom reactions with unsaturated ketones, computational calculations were performed for the reactions of Cl atoms with 4-hexen-3-one, 5-hexen-2-one and 3-penten-2-one over the temperature range of 275–400 K using Canonical Variational Transition state theory (CVT) with Small Curvature Tunneling (SCT) in combination with CCSD(T)/6-31+G(d, p)//MP2/6-311++G(d, p) level of theory. Atmospheric implications, reaction mechanism and feasibility of the title reactions are discussed in this manuscript.


2018 ◽  
Vol 706 ◽  
pp. 558-563 ◽  
Author(s):  
Monali Kawade ◽  
Asmita Sharma ◽  
D. Srinivas ◽  
Ankur Saha ◽  
Hari P. Upadhyaya ◽  
...  

2009 ◽  
Vol 11 (21) ◽  
pp. 4319 ◽  
Author(s):  
B. Vetters ◽  
B. Dils ◽  
T. L. Nguyen ◽  
L. Vereecken ◽  
S. A. Carl ◽  
...  

1979 ◽  
Vol 63 (1) ◽  
pp. 166-170 ◽  
Author(s):  
N.G. Adams ◽  
D. Smith ◽  
D.G. Lister ◽  
A.B. Rakshit ◽  
M. Tichy ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document