Kinetics of CH radical reactions with selected molecules at room temperature

Butler, James E.; Fleming, James W.; Goss, L. P.; Lin, Ming‐Chang

doi:10.1016/0301-0104(81)80157-7

Cited by 152 publications

(95 citation statements)

References 18 publications

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“…2.! Rate constant from capture rate theory and branching ratio deduced from theoretical study of the isomeric CH + C 3 H 6 (Trevitt et al 2013, Loison & Bergeat 2009 1.6 1.6 7 7 (Butler et al 1981, Berman et al 1982, Thiesemann et al 1997, Thiesemann et al 2001, Canosa et al 1997, McKee et al 2003, Goulay et al 2009, Gosavi et al 1985, Wang & Huang 1998, Davis et al 1999, Stranges et al 2008, Zhang et al 2012, Loison & Bergeat 2009 10.! CH + C 2 H 6 → CH 3 + C 2 H 4 → H + C 3 H 6 2.8e-11 5.0e-12 -0.648 -0.648 43.6 43.6…”

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

“…1.6 1.6 7 7 (Butler et al 1980, Butler et al 1981, Berman & Lin 1983, Canosa et al 1997, McKee et al 2003, Galland et al 2003 11.! CH + C 3 H 4 → H + CH 2 CHC 2 H 4.2e-10 0 0 1.4 14 , Butler et al 1981, Daugey et al 2005, Goulay et al 2009, Loison & Bergeat 2009 12.!…”

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

“…CH + C 3 H 4 → H + CH 2 CHC 2 H 4.2e-10 0 0 1.4 14 , Butler et al 1981, Daugey et al 2005, Goulay et al 2009, Loison & Bergeat 2009 12.! At low pressure (Fahr et al 1999, Stoliarov et al 2000, Hébrard et al 2013, Thorn et al 2000 → Rate constant in the 10-50K deduced from (Sabbah et al 2007), branching ratio mainly from (Savee et al 2012) (see also (Knyazev et al 1992, Cavallotti et al 2014, Leonori et al 2015 35.!…”

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

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Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

Hickson

Wakelam

Loison

2016

Molecular Astrophysics

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Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 99%

See 1 more Smart Citation

Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

Hickson

Wakelam

Loison

2016

Molecular Astrophysics

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“…For the reaction of CH(X~T) with CH,, detailed kinetic experiments have been performed (6)(7)(8)(9). Using the laser-photolysis/LIF technique, Berman and Lin (9) found that, in the temperature range 167-652 K and at a fixed total pressure of 100 Torr (1 Torr = 133.3 Pa), the measured activation energy was -0.4 kcal/mol, and that at 297 K the measured rate constants were independent of the total pressure.…”

Section: Introductionmentioning

confidence: 99%

An ab initio study on the reaction of CH(X²π) with CH₄

Yu¹,

Chen²,

Ming-Bao³

1993

Can. J. Chem.

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ZHONGHUA Yu, CONGXIANG CHEN, and MINGBAO HUANG. Can. J. Chem. 71, 512 (1993).The mechanism of the reaction CH(X'T) + CH, has been investigated by ab initio molecular orbital calculations.Addition, insertion, and abstraction-addition reaction paths have been examined by, in total, five methods of approach. The addition reaction path has a rather high energy barrier. Our calculations have implied that the assumed insertion reaction path does not seem to exist for the reaction CH + CH,, and a two-step mechanism (abstraction-addition reaction path) was then proposed. For the abstraction-addition reaction, the reactants, transition state, intermediates, and products were optimized at the HF/3-21G and HF/6-31G" levels, and vibrational frequencies were calculated at the HF/3-21G level. Electronic correlation energy was estimated by means of the M~ller-Plesset perturbation theory and configuration interaction method. The excited-state abstraction reaction was also studied in some detail.

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“…The reaction kinetics of CH with C 2 H 2 has been widely studied (Butler et al 1981;Berman et al 1982;Canosa et al 1997;Thiesemann et al 1997) for temperatures ranging from 23 K (Canosa et al 1997) to 710 K (Thiesemann et al 1997). The experimental temperature dependence of the total rate constant is given by the expression 1.59 × 10 −9 × T −0.233 × exp (−16/T ) cm 3 molecule −1 s −1 between 23 K and 295 K, suggesting that this reaction proceeds without a barrier.…”

Section: C9 H + C 3 Hmentioning

confidence: 99%

Photochemistry of C₃H_phydrocarbons in Titan’s stratosphere revisited

Hébrard¹,

Dobrijévic²,

Loison³

et al. 2013

A&A

124

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The description of C 3 hydrocarbon chemistry in current photochemical models of Titan's atmosphere is found to be far from complete. We have carefully investigated the photochemistry involving C 3 H p compounds in the atmosphere of Titan (considering both photolysis and neutral reactions), which considerably impacts the abundances of many other hydrocarbon species (including C 2 compounds). Model results indicate that three species (C 3 , c−C 3 H 2 and C 3 H 3 ) could be abundant enough to be present in the Cassini/INMS data. Because the error bars on predicted C 3 -hydrocarbon abundances are considerably larger than those of the observational data, new experimental and theoretical studies targeting the measurement of low-temperature reaction rate constants and product branching ratios are required to reduce current model uncertainties. In particular, we highlight 30 "key reactions", the uncertainty factors of which should be lowered to improve the quality of photochemical models involving C 3 H p molecules.

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Kinetics of CH radical reactions with selected molecules at room temperature

Cited by 152 publications

References 18 publications

Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

An ab initio study on the reaction of CH(X²π) with CH₄

Photochemistry of C₃H_phydrocarbons in Titan’s stratosphere revisited

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Kinetics of CH radical reactions with selected molecules at room temperature

Cited by 152 publications

References 18 publications

Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

Methylacetylene (CH3CCH) and propene (C3H6) formation in cold dense clouds: A case of dust grain chemistry

An ab initio study on the reaction of CH(X2π) with CH4

Photochemistry of C3Hphydrocarbons in Titan’s stratosphere revisited

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An ab initio study on the reaction of CH(X²π) with CH₄

Photochemistry of C₃H_phydrocarbons in Titan’s stratosphere revisited