Temperature-dependence study of the gas-phase reactions of atmospheric Cl atoms with a series of aliphatic aldehydes

2006 ◽  
Vol 40 (21) ◽  
pp. 3845-3854 ◽  
Author(s):  
Carlos A. Cuevas ◽  
Alberto Notario ◽  
Ernesto Martínez ◽  
José Albaladejo
2009 ◽  
Vol 484 (1-3) ◽  
pp. 10-13 ◽  
Author(s):  
Antonio A. Ceacero-Vega ◽  
Bernabé Ballesteros ◽  
José Albaladejo ◽  
Iustinian Bejan ◽  
Ian Barnes

2008 ◽  
Vol 199 (1) ◽  
pp. 92-97 ◽  
Author(s):  
M.P. Sulbaek Andersen ◽  
E.J.K. Nilsson ◽  
O.J. Nielsen ◽  
M.S. Johnson ◽  
M.D. Hurley ◽  
...  

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.


Author(s):  
Peter Behr ◽  
Cornelia Kaupert ◽  
Eduard Shafranovski ◽  
Horst Heydtmann

2007 ◽  
Vol 111 (5) ◽  
pp. 909-915 ◽  
Author(s):  
T. Nakayama ◽  
K. Takahashi ◽  
Y. Matsumi ◽  
A. Toft ◽  
M. P. Sulbaek Andersen ◽  
...  

2006 ◽  
Vol 40 (19) ◽  
pp. 5971-5976 ◽  
Author(s):  
Alfonso Aranda ◽  
Yolanda Díaz-de-Mera ◽  
Iván Bravo ◽  
Diana Rodríguez ◽  
Ana Rodríguez ◽  
...  

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