scholarly journals Atmospheric sink of β-ocimene and camphene initiated by Cl atoms: kinetics and products at NOxfree-air

RSC Advances ◽  
2018 ◽  
Vol 8 (48) ◽  
pp. 27054-27063 ◽  
Author(s):  
Elizabeth Gaona-Colmán ◽  
María B. Blanco ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
Mariano A. Teruel
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
P Rate ◽  
Cl Atoms

Rate coefficients for the gas-phase reactions of Cl atoms with β-ocimene and camphene were determined to be (in units of 10−10cm3per molecule per s) 5.5 ± 0.7 and 3.3 ± 0.4, respectively.

scholarly journals Experimental and computational kinetics investigations for the reactions of Cl atoms with series of unsaturated ketones in gas phase

2017 ◽  
Author(s):  
Siripina Vijayakumar ◽  
Avinash Kumar ◽  
Balla Rajakuma
Keyword(s):  
Gas Phase ◽  
State Theory ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Unsaturated Ketones ◽  
Temperature Range ◽  
Computational Calculations ◽  
Temperature Rate ◽  
Cl Atoms

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.

scholarly journals Atmospheric sink of methyl chlorodifluoroacetate and ethyl chlorodifluoroacetate: temperature dependent rate coefficients, product distribution of their reactions with Cl atoms and CF2ClC(O)OH formation

RSC Advances ◽  
2016 ◽  
Vol 6 (57) ◽  
pp. 51834-51844
Author(s):  
María B. Blanco ◽  
Ian Barnes ◽  
Peter Wiesen ◽  
Mariano A. Teruel
Keyword(s):  
Relative Rate ◽  
Product Distribution ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Dependent Rate ◽  
P Rate ◽  
Distribution Studies ◽  
First Time ◽  
Cl Atoms

Rate coefficients as a function of temperature and product distribution studies have been performed for the first time for the gas-phase reactions of chlorine atoms with methyl chlorodifluoracetate (k1) and ethyl chlorodifluoroacetate (k2) using the relative rate technique.

scholarly journals Degradation of a series of fluorinated acrylates and methacrylates initiated by OH radicals at different temperatures

RSC Advances ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4264-4273
Author(s):  
P. Lugo García ◽  
C. B. Rivela ◽  
R. G. Gibilisco ◽  
S. Salgado ◽  
P. Wiesen ◽  
...  
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Gas Phase Reactions ◽  
P Rate ◽  
Different Temperatures ◽  
First Time ◽  
Fluorinated Acrylates

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.

Relative kinetic measurements of rate coefficients for the gas-phase reactions of Cl atoms and OH radicals with a series of methyl alkyl esters

2010 ◽  
Vol 44 (40) ◽  
pp. 5407-5414 ◽  
Author(s):  
Nicole Schütze ◽  
Xiaoyin Zhong ◽  
Stefan Kirschbaum ◽  
Iustinian Bejan ◽  
Ian Barnes ◽  
...  
Keyword(s):  
Gas Phase ◽  
Rate Coefficients ◽  
Oh Radicals ◽  
Alkyl Esters ◽  
Gas Phase Reactions ◽  
Kinetic Measurements ◽  
Relative Kinetic ◽  
Cl Atoms

Atmospheric chemistry of trans-CF3CHCHCl: Kinetics of the gas-phase reactions with Cl atoms, OH radicals, and O3

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 ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Oh Radicals ◽  
Gas Phase Reactions ◽  
Kinetics Of ◽  
Cl Atoms

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
Keyword(s):  
Temperature Dependence ◽  
Gas Phase ◽  
Gas Phase Reactions ◽  
Aliphatic Aldehydes ◽  
Cl Atoms

scholarly journals Gas phase kinetics of the OH + CH3CH2OH reaction at temperatures of the interstellar medium (T = 21–107 K)

2018 ◽  
Vol 20 (8) ◽  
pp. 5865-5873 ◽  
Author(s):  
A. J. Ocaña ◽  
S. Blázquez ◽  
B. Ballesteros ◽  
A. Canosa ◽  
M. Antiñolo ◽  
...  
Keyword(s):  
Interstellar Medium ◽  
Gas Phase ◽  
Rate Coefficients ◽  
Cold Temperatures ◽  
Gas Phase Kinetics ◽  
P Rate ◽  
Kinetics Of

Rate coefficients for the OH-reaction with ethanol, ubiquitous in the interstellar medium, has been determined at ultra-cold temperatures by using the pulsed and continuous CRESU technique.

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