Identification of C4H5, C4H4, C3H3 and CH3 radicals produced from the reaction of atomic carbon with propene: Implications for the atmospheres of Titan and giant planets and for the interstellar medium

Chin, Chih‐Hao; Chen, Wei-Kan; Huang, Wen-Jian; Lin, Yi‐Cheng; Lee, Shih‐Huang

doi:10.1016/j.icarus.2012.11.009

Cited by 18 publications

(23 citation statements)

References 49 publications

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“…Nonetheless, C 4 H 4 was observed in crossed-beam experiments and attributed to the decomposition of C 4 H 5 to C 4 H 4 + H. In crossed-beam experiments, product channels C 4 H 5 + H, C 4 H 4 + 2H, and C 3 H 3 + CH 3 were estimated to have a branching ratio of 17:8:75 without correction of ionization cross sections. 20 The experimental branching ratio of the total H-loss channel to the CH 3 -loss channel is 25:75 in good agreement with the RRKM calculated value 22:78. Below lists five product channels that are significant in both experiment and calculation:…”

Section: Discussionsupporting

confidence: 78%

“…20 Available energy of a reaction can be calculated based on E ava = E c − H • . Because propene supersonically cooled has a small rotational angular momentum j, the title reaction has a total angular momentum J approximated to reactant's orbital angular momentum (=μv rel b); 28 μ and b denote the reduced mass and the impact parameter, respectively, between atomic carbon and propene.…”

Section: Discussionmentioning

confidence: 99%

“…19,20 Translational-energy and angular distributions of product C 4 H 5 were interrogated with electron-impact ionization 19 whereas four products C 4 H 5 , C 4 H 4 , C 3 H 3 , and CH 3 were identified using synchrotron VUV ionization. 20 The C( 3 P) + C 3 H 6 reaction has rate coefficient k(T) = 2.9 × 10 −10 (T/298 K) −0.08 cm 3 molecule −1 s −1 in the temperature range of 15-295 K, which is indicative of no entrance barrier; 21 the rate coefficient was also determined as 2.6 × 10 −10 cm 3 molecule −1 s −1 at room temperature. 22 The potentialenergy surface of the C( 3 P) + C 3 H 6 reaction was investigated with ab initio methods 20, 23, 24 and product branching ratios at E c ≤ 10.8 kcal mol −1 were predicted with Rice-RamspergerKassel-Marcus (RRKM) 25 theory.…”

Section: Introductionmentioning

confidence: 99%

“…22 The potentialenergy surface of the C( 3 P) + C 3 H 6 reaction was investigated with ab initio methods 20, 23, 24 and product branching ratios at E c ≤ 10.8 kcal mol −1 were predicted with Rice-RamspergerKassel-Marcus (RRKM) 25 theory. 20,23 In the present work, we explored the dynamics of the title reaction by interrogating three product channels leading to C 4 H 5 + H, C 4 H 4 + 2H, and C 3 H 3 + CH 3 . The title reaction allows us to investigate the atom-atom and atom-molecule exchange mechanisms in a full collision process.…”

Section: Introductionmentioning

confidence: 99%

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Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Lee

Chen

Chin

et al. 2013

The Journal of Chemical Physics

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We investigated the dynamics of the reaction of (3)P atomic carbon with propene (C3H6) at reactant collision energy 3.8 kcal mol(-1) in a crossed molecular-beam apparatus using synchrotron vacuum-ultraviolet ionization. Products C4H5, C4H4, C3H3, and CH3 were observed and attributed to exit channels C4H5 + H, C4H4 + 2H, and C3H3 + CH3; their translational-energy distributions and angular distributions were derived from the measurements of product time-of-flight spectra. Following the addition of a (3)P carbon atom to the C=C bond of propene, cyclic complex c-H2C(C)CHCH3 undergoes two separate stereoisomerization mechanisms to form intermediates E- and Z-H2CCCHCH3. Both the isomers of H2CCCHCH3 in turns decompose to C4H5 + H and C3H3 + CH3. A portion of C4H5 that has enough internal energy further decomposes to C4H4 + H. The three exit channels C4H5 + H, C4H4 + 2H, and C3H3 + CH3 have average translational energy releases 13.5, 3.2, and 15.2 kcal mol(-1), respectively, corresponding to fractions 0.26, 0.41, and 0.26 of available energy deposited to the translational degrees of freedom. The H-loss and 2H-loss channels have nearly isotropic angular distributions with a slight preference at the forward direction particularly for the 2H-loss channel. In contrast, the CH3-loss channel has a forward and backward peaked angular distribution with an enhancement at the forward direction. Comparisons with reactions of (3)P carbon atoms with ethene, vinyl fluoride, and vinyl chloride are stated.

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Section: Discussionsupporting

confidence: 78%

Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Lee

Chen

Chin

et al. 2013

The Journal of Chemical Physics

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“…Synchrotron VUV sources, however, are generally tunable over extensive photon energy ranges with very high photon densities, which increases sensitivity. Within the last two decades, synchrotron radiation sources have been coupled to CMB, [36][37][38] various pyrolysis sources, reactors and flames. 25,[39][40][41][42][43] The Advanced Light Source (LBNL, USA) 1.9 GeV synchrotron is equipped with an undulator-based VUV beamline that provides photons ranging from ∼ 7.0 eV up to 14 eV with an energy resolution of ~ 5 -25 meV.…”

Section: Introductionmentioning

confidence: 99%

Insights into gas-phase reaction mechanisms of small carbon radicals using isomer-resolved product detection

Trevitt

Goulay

2016

Phys. Chem. Chem. Phys.

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For reactive gas-phase environments, including combustion, extraterrestrials atmospheres and our Earth's atmosphere, the availability of quality chemical data is essential for predictive chemical models. These data include reaction rate coefficients and product branching fractions. This perspective overviews recent isomerresolved production detection experiments for reactions of two of the most reactive gas phase radicals, the CN and CH radicals, with a suite of small hydrocarbons. A particular focus is given to flow-tube experiments using synchrotron photoionization mass spectrometry. Coupled with computational studies and other experiment techniques, flow tube isomer-resolved product detection have provided significant mechanistic details of these radical + neutral reactions with some general patterns emerging. Disciplines Medicine and Health Sciences | Social and Behavioral Sciences ABSTRACTFor reactive gas-phase environments, including combustion, extraterrestrials atmospheres and our Earth's atmosphere, the availability of quality chemical data is essential for predictive chemical models. These data include reaction rate coefficients and product branching fractions. This perspective overviews recent isomer-resolved production detection experiments for reactions of two of the most reactive gas phase radicals, the CN and CH radicals, with a suite of small hydrocarbons. A particular focus is given to flowtube experiments using synchrotron photoionization mass spectrometry. Coupled with computational studies and other experiment techniques, flow tube isomer-resolved product detection have provided significant mechanistic details of these radical + neutral reactions with some general patterns emerging.

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Gas‐Phase Synthesis of Triphenylene (C₁₈H₁₂)

Zhao

Ablikim

et al. 2019

ChemPhysChem

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For the last decades, the hydrogen‐abstraction−acetylene‐addition (HACA) mechanism has been widely invoked to rationalize the high‐temperature synthesis of PAHs as detected in carbonaceous meteorites (CM) and proposed to exist in the interstellar medium (ISM). By unravelling the chemistry of the 9‐phenanthrenyl radical ([C14H9].) with vinylacetylene (C4H4), we present the first compelling evidence of a barrier‐less pathway leading to a prototype tetracyclic PAH – triphenylene (C18H12) – via an unconventional hydrogen abstraction–vinylacetylene addition (HAVA) mechanism operational at temperatures as low as 10 K. The barrier‐less, exoergic nature of the reaction reveals HAVA as a versatile reaction mechanism that may drive molecular mass growth processes to PAHs and even two‐dimensional, graphene‐type nanostructures in cold environments in deep space thus leading to a better understanding of the carbon chemistry in our universe through the untangling of elementary reactions on the most fundamental level.

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Identification of C4H5, C4H4, C3H3 and CH3 radicals produced from the reaction of atomic carbon with propene: Implications for the atmospheres of Titan and giant planets and for the interstellar medium

Cited by 18 publications

References 49 publications

Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Insights into gas-phase reaction mechanisms of small carbon radicals using isomer-resolved product detection

Gas‐Phase Synthesis of Triphenylene (C₁₈H₁₂)

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Identification of C4H5, C4H4, C3H3 and CH3 radicals produced from the reaction of atomic carbon with propene: Implications for the atmospheres of Titan and giant planets and for the interstellar medium

Cited by 18 publications

References 49 publications

Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Dynamics of carbon-hydrogen and carbon-methyl exchanges in the collision of 3P atomic carbon with propene

Insights into gas-phase reaction mechanisms of small carbon radicals using isomer-resolved product detection

Gas‐Phase Synthesis of Triphenylene (C18H12)

Contact Info

Product

Resources

About

Gas‐Phase Synthesis of Triphenylene (C₁₈H₁₂)