Branching ratios for the dissociative recombination of hydrocarbon ions

Angelova, G. V.; Novotny, Steffen; Mitchell, James B.; Rebrion-Rowe, C.; Garrec, Jean-Luc Le; Bluhme, H.; Svendsen, Annette; Andersen, Lars H.

doi:10.1016/j.ijms.2003.12.013

Cited by 28 publications

(16 citation statements)

References 58 publications

(58 reference statements)

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“…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.! 86.7 % de C 3 H x (supposed to be C 3 H 4 **) and 13.3% of CH x + C 2 H y (Angelova et al 2004a, Angelova et al 2004b. We supposed than C 3 H 4 ** leads mainly to C 3 H 3 by comparison with C 3 H 4 photodissociation (Seki & Okabe 1992, Ni et al 1999, Harich et al 2000a, Harich et al 2000b.…”

Section: Review Of the Gas Phase Reactionsmentioning

confidence: 86%

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: 86%

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 higher hydrocarbon ions reliable data are more difficult to obtain due to the problems discussed previously. However, a concerted attempt has been made and measurements on the whole propane family have been reported; C 3 H þ n (n ¼ 1-8 (Angelova et al, 2004), n ¼ 7 (Ehlerding et al, 2003;Larsson et al, 2004b)), and for the butane family; C 4 H þ n (n ¼ 1-9 (Angelova et al, 2004a), n ¼ 2 (Dannielsson et al, 2008), n ¼ 5 (Mitchell et al, 2003), and n ¼ 9 (Mitchell et al, 2003;Larsson et al, 2005)) and, finally, for a range of bare carbon clusters, C þ m for m ¼ 3-6 (Heber et al, 2006). Due to the increasing complexity of the systems involved, only the degree of C-C fragmentation was considered, that is, channels which involve the cleavage of one or multiple C-H bonds are not explicitly stated in the following equations for the available reaction channels.…”

Section: Hydrocarbon Chemistrymentioning

confidence: 99%

“…where the fragmentation of all C-C bonds leading to four individual C products energetically forbidden. Figure 16 plots graphically the experimental results which are listed in Table 1 of Angelova et al (2004a). For the case of C 3 H þ 7 , due to the measurement uncertainties, this number is an average value from the full range of 1.0-1.73 determined from the various fits (Ehlerding, 2006).…”

Section: Hydrocarbon Chemistrymentioning

confidence: 99%

When electrons meet molecular ions and what happens next: Dissociative recombination from interstellar molecular clouds to internal combustion engines

Thomas

2008

Mass Spectrometry Reviews

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The interaction of matter with its environment is the driving force behind the evolution of 99% of the observed matter in the universe. The majority of the visible universe exists in a state of weak ionization, the so called fourth state of matter: plasma. Plasmas are ubiquitous, from those occurring naturally; interstellar molecular clouds, cometary comae, circumstellar shells, to those which are anthropic in origin; flames, combustion engines and fusion reactors. The evolution of these plasmas is driven by the interaction of the plasma constituents, the ions, and the electrons. One of the most important subsets of these reactions is electron-molecular ion recombination. This process is significant for two very important reasons. It is an ionization reducing reaction, removing two ionised species and producing neutral products. Furthermore, these products may themselves be reactive radical species which can then further drive the evolution of the plasma. The rate at which the electron reacts with the ion depends on many parameters, for examples the collision energy, the internal energy of the ion, and the structure of the ion itself. Measuring these properties together with the manner in which the system breaks up is therefore critical if the evolution of the environment is to be understood at all. Several techniques have been developed to study just such reactions to obtain the necessary information on the parameters. In this paper the focus will be on one the most recently developed of these, the Ion Storage Ring, together with the detection tools and techniques used to extract the necessary information from the reaction.

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“…For the case of triatomic molecular ions, experiments show that the main pathways involve a three‐body breakup 60, 64, 65. On the other hand, polyatomic molecular ions can undergo recombination through several different pathways 66, 67…”

Section: Resultsmentioning

confidence: 99%

Positive molecular ions and ion‐neutral complexes in the gas phase: Structure and stability of C₂H₄O₂^+· and C₂H₄O₂²⁺ isomers

Fantuzzi

Baptista

Rocha

et al. 2012

Int J of Quantum Chemistry

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The structure and stability of several C 2 H 4 O 2 þÁ and C 2 H 4 O 2 2þ isomers were studied by quantum chemical methods in an attempt to elucidate their most stable molecular arrangements and infer their contribution to the ion chemistry of astrophysical environments. The geometry optimizations were performed at B3LYP/6-311G** and MP2/6-311G** level. Singlepoint calculations at equilibrium geometries were performed at left eigenstate completely renormalized coupled cluster method, CR-CCL(2,3). Ninety minimum structures for the ions at the MP2 level were found: 38 related to C 2 H 4 O 2 þÁ , 33 to C 2 H 4 O 2 2þ , and 19 to ion-neutral complexes. The more stable C 2 H 4 O 2 þÁ isomers have enolic structures, in agreement with the McLafferty rearrangement mechanism of straight chain aliphatic acids. In contrast, the most stable C 2 H 4 O 2 2þ isomerhas an acyclic OCCO nonplanar linear chain structure, with terminal þ OH 2 and CBO þ linkages. In addition, acetic acid and methyl formate analogue structures were found only for the monopositive ion, with higher energies though. Both global minima are significantly different from the more stable neutral isomers and, therefore, could not be found in a geometry optimization procedure starting from the neutral structures. Dissociative recombination reaction pathways of C 2 H 4 O 2 þÁ and its application to the formation of astrophysical neutral molecules are also discussed.

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Branching ratios for the dissociative recombination of hydrocarbon ions

Cited by 28 publications

References 58 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

When electrons meet molecular ions and what happens next: Dissociative recombination from interstellar molecular clouds to internal combustion engines

Positive molecular ions and ion‐neutral complexes in the gas phase: Structure and stability of C₂H₄O₂^+· and C₂H₄O₂²⁺ isomers

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Branching ratios for the dissociative recombination of hydrocarbon ions

Cited by 28 publications

References 58 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

When electrons meet molecular ions and what happens next: Dissociative recombination from interstellar molecular clouds to internal combustion engines

Positive molecular ions and ion‐neutral complexes in the gas phase: Structure and stability of C2H4O2+· and C2H4O22+ isomers

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Positive molecular ions and ion‐neutral complexes in the gas phase: Structure and stability of C₂H₄O₂^+· and C₂H₄O₂²⁺ isomers