Wide temperature range kinetics of the gas-phase reactions of chloroborane (BCl) with sulfur dioxide, nitrous oxide, oxygen, and carbon dioxide

Abstract. The available database concerning rate constants for gas-phase reactions of the hydroxyl (OH) radical with alkanes through early 2003 is presented over the entire temperature range for which measurements have been made (~180-2000 K). Measurements made using relative rate methods are re-evaluated using recent rate data for the reference compound (generally recommendations from this review). In general, whenever more than one study has been carried out over an overlapping temperature range, recommended rate constants or temperature-dependent rate expressions are presented. The recommended 298 K rate constants, temperature-dependent parameters, and temperature ranges over which these recommendations are applicable are listed in Table 1.

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Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

Atmospheric Chemistry and Physics Discussions ◽

10.5194/acpd-3-4183-2003 ◽

2003 ◽

Vol 3 (4) ◽

pp. 4183-4358 ◽

Cited By ~ 15

Author(s):

R. Atkinson

Keyword(s):

Gas Phase ◽

Rate Constants ◽

Relative Rate ◽

Oh Radicals ◽

Reference Compound ◽

Gas Phase Reactions ◽

Temperature Dependent ◽

Temperature Range ◽

Dependent Rate ◽

Kinetics Of

Abstract. The available database concerning rate constants for gas-phase reactions of the hydroxyl (OH) radical with alkanes through early 2003 is presented ove the entire temperature range for which measurements have been made (~180–2000 K). Measurements made using relative rate methods are re-evaluated using recent rate data for the reference compound (generally recommendations from this review). In general, whenever more than one study has been carried out over an overlapping temperature range, recommended rate constants or temperature-dependent rate expressions are presented.

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Gas phase reactions of anions with nitrous oxide and carbon dioxide

Journal of the American Chemical Society ◽

10.1021/ja00459a046 ◽

1977 ◽

Vol 99 (17) ◽

pp. 5800-5802 ◽

Cited By ~ 52

Author(s):

Veronica M. Bierbaum ◽

C. H. DePuy ◽

R. H. Shapiro

Keyword(s):

Carbon Dioxide ◽

Nitrous Oxide ◽

Gas Phase ◽

Gas Phase Reactions

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Kinetics of the gas-phase reactions of chlorine atoms with CH2F2, CH3CCl3, and CF3CFH2over the temperature range 253-553 K

International Journal of Chemical Kinetics ◽

10.1002/kin.20398 ◽

2009 ◽

Vol 41 (6) ◽

pp. 401-406 ◽

Cited By ~ 5

Author(s):

E. J. K. Nilsson ◽

M. S. Johnson ◽

O. J. Nielsen ◽

E. W. Kaiser ◽

T. J. Wallington

Keyword(s):

Gas Phase ◽

Gas Phase Reactions ◽

Chlorine Atoms ◽

Temperature Range ◽

Kinetics Of

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Gas phase interaction with catalytic oxidation reactions

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1972.0006 ◽

1972 ◽

Vol 326 (1565) ◽

pp. 215-227 ◽

Cited By ~ 7

Keyword(s):

Carbon Dioxide ◽

Maleic Anhydride ◽

Catalytic Oxidation ◽

Gas Phase ◽

Major Part ◽

Oxidation Reactions ◽

Mixed Gas ◽

Kinetics Of ◽

Oxidation Of Benzene ◽

Homogeneous Decomposition

Studies of the catalytic oxidation of benzene to maleic anhydride and carbon dioxide over vanadia/molybdena catalysts show that the major part of the reaction involves interacting gas and gas-solid processes. The results are consistent with a mechanism in which a benzeneoxygen adduct is formed catalytically, desorbs and then reacts to give maleic anhydride entirely in the gas phase. On the basis of this proposed mechanism, the kinetics of individual reactions have been investigated in some depth. The over-oxidation of maleic anhydride has been found to be not significant under the conditions of reaction. The kinetic relationships governing the homogeneous decomposition of the adduct and the oxidation of the adduct to maleic anhydride and to carbon dioxide have been established. The results show that essentially all of the anhydride originates from mixed gas-solid/gas reaction while substantial amounts of carbon dioxide are produced entirely catalytically.

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

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/j.jphotochem.2008.05.013 ◽

2008 ◽

Vol 199 (1) ◽

pp. 92-97 ◽

Cited By ~ 35

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

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

10.5194/acp-2017-163 ◽

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.

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