Rate coefficients for the gas-phase reactions of OH radicals with methylbutenols at 298 K

2004 ◽  
Vol 36 (7) ◽  
pp. 379-385 ◽  
Author(s):  
Takashi Imamura ◽  
Yumi Iida ◽  
Kinichi Obi ◽  
Ikue Nagatani ◽  
Kazumichi Nakagawa ◽  
...  
RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4264-4273
Author(s):  
P. Lugo García ◽  
C. B. Rivela ◽  
R. G. Gibilisco ◽  
S. Salgado ◽  
P. Wiesen ◽  
...  

Rate coefficients for the gas-phase reactions of OH radicals with a series of fluorinated acrylates and methacrylates have been measured for the first time as a function of temperature in the range 290–308 K.


2010 ◽  
Vol 44 (40) ◽  
pp. 5407-5414 ◽  
Author(s):  
Nicole Schütze ◽  
Xiaoyin Zhong ◽  
Stefan Kirschbaum ◽  
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.


2009 ◽  
Vol 41 (8) ◽  
pp. 532-542 ◽  
Author(s):  
L. Chen ◽  
T. Uchimaru ◽  
J. Mizukado ◽  
S. Kutsuna ◽  
K. Tokuhashi ◽  
...  

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