Dissociative electron attachment to HCCCN

Graupner, Karola; Merrigan, Tony; Field, Thomas A.; Youngs, Tristan G. A.; Marr, Patricia C.

doi:10.1088/1367-2630/8/7/117

Cited by 44 publications

(63 citation statements)

References 55 publications

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“…14,16,18-21 All predict linear structures for the X 1 Σ + ground state of C 3 N -and the X 2 Σ + ground state of C 3 N. The equilibrium electron affinity of C 3 N was recently calculated 14 to be 4.34 eV, ∼0.25 eV lower than the experimental value; 17 inclusion of zero-point energies in the calculation increases this discrepancy slightly.…”

Section: Introductionmentioning

confidence: 99%

Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻

et al. 2009

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Anion photoelectron spectroscopy of C 3 N -and C 5 N -is performed using slow electron velocity-map imaging (SEVI) and field-free time-of-flight (TOF), respectively. The SEVI spectrum exhibits well-resolved vibrational transitions from the linear C 3 N -ground state to the corresponding C 3 N ground state. The TOF spectrum comprises transitions arising from the linear C 5 N -ground state to the corresponding neutral ground and excited states. This study yields the adiabatic electron affinities of C 3 N and C 5 N to be 4.305 ( 0.001 and 4.45 ( 0.03 eV, respectively, and a term value of 560 ( 120 cm -1 for the Ã 2 Π state of C 5 N. Vibrational frequencies for the degenerate cis and trans bending modes of C 3 N -are also extracted.

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Section: Introductionmentioning

confidence: 99%

Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻

et al. 2009

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“…Furthermore, it has been shown that low-energy (4-20 eV) electron irradiation of a binary mixture of ammonia and acetic acid prepared at 25 K on polycrystalline hydrogenated diamond film-induced formation of a unique chemical species, without the need of thermal activation [3]. Therefore, investigation of electron interaction with isolated prebiotic molecules may be of importance for exobiology research and electron-induced chemistry in the interstellar media, where the presence of free electrons is expected [4].…”

Section: Introductionmentioning

confidence: 99%

Absolute cross sections for elastic electron scattering from methylformamide

et al. 2012

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Elastic electron scattering from gaseous methylformamide (N -methylformamide, C 2 H 5 NO) has been investigated. Absolute elastic differential cross sections (DCSs) were determined both experimentally and theoretically for the incident energies from 50 to 300 eV. The measurements were performed using a cross-beam technique, for scattering angles from 20 • to 110 • . Relative elastic DCSs were measured as a function of both the angle and the incident energy and the absolute DCSs were determined using the relative flow method. The calculations of electron interaction cross sections are based on a corrected form of the independent-atom method, known as the SCAR (screen corrected additivity rule) procedure and using an improved quasifree absorption model. Calculated integral cross sections have been presented, as well, both for methylformamide and formamide, in the energy range 10-1000 eV, and discussed. The results are compared with and discussed regarding existing data for other small molecules representing building blocks of large biomolecules.

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“…The 3-eV resonance corresponds to a temporary capture of the incoming electron into this orbital. The lowestenergy structure of dimethylacetylene has D 3h symmetry (eclipsed geometry); the corresponding electron configuration is (3a 1 ) 2 (3a 2 ) 2 (4a 1 ) 2 (4a 2 ) 2 (1e ) 4 (1e ) 4 (5a 1 ) 2 (2e ) 4 [24]. The virtual orbital giving rise to the π * shape resonance in methylacetylene is the 2e LUMO.…”

Section: Resultsmentioning

confidence: 99%

“…Acetylene was shown to be a prototype molecule in which the dissociative electron attachment (DEA) proceeds via electron capture in a π * orbital and the dissociation is mediated via vibronic coupling. Such molecules are the subject of current interest both experimentally [1][2][3][4] and theoretically [5][6][7][8], since the dynamical situation is more complicated than in the molecules where the DEA proceeds via electron capture to a σ * orbital and direct cleavage of the involved bond. For some molecules-a notable example is formic acid [9,10]-there is an ongoing discussion as to which of the two processes is operative.…”

Section: Introductionmentioning

confidence: 99%

“…This dissociation into ground-state fragments is symmetry forbidden in linear geometry and the H atom follows an out-of-line trajectory as the bond stretches [5]. Such behavior, where the resonant state cannot dissociate in original geometry and distorts during the fragmentation, has been seen in a handful of molecules, for instance C 2 H 2 [1,5], C 4 H 2 [2,3], HCCCN [4], and chlorobenzene [11]. A related case is HCN [7,12], where the outgoing H atom tunnels through the barrier with symmetry lowering playing a limited role.…”

Section: Introductionmentioning

confidence: 99%

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Dissociative electron attachment to methylacetylene and dimethylacetylene: Symmetry versus proximity

2012

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We have measured absolute dissociative electron attachment (DEA) cross sections in methylacetylene (propyne, C 3 H 4 ) and dimethylacetylene (but-2-yne, C 4 H 6 ). The main feature in the low-energy DEA spectrum is a π * shape resonance giving rise to fragments at 3.4 eV in C 3 H 4 and 4.0 eV in C 4 H 6 . The process C 3 H 4 + e → C 3 H − 3 + H proceeds via abstraction of the acetylenic hydrogen which is mediated by effective vibronic coupling. The abstraction of methyl group hydrogen, which does not require symmetry lowering of the transient negative ion, was not observed; the spatial separation of the bond from the resonance decreases the cross section dramatically. The presence of the methyl group further influences the DEA cross sections via change of the resonance's position and via blocking one or both of the DEA active sites in acetylene. No cleavage of the C-methyl bond has been observed, and reasons for this effect are discussed. Additionally, several higher-lying resonances (6 to 15 eV) leading to production of an H − fragment were observed and assigned.

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Dissociative electron attachment to HCCCN

Cited by 44 publications

References 55 publications

Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻

Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻

Absolute cross sections for elastic electron scattering from methylformamide

Dissociative electron attachment to methylacetylene and dimethylacetylene: Symmetry versus proximity

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Dissociative electron attachment to HCCCN

Cited by 44 publications

References 55 publications

Anion Photoelectron Spectroscopy of C3N− and C5N−

Anion Photoelectron Spectroscopy of C3N− and C5N−

Absolute cross sections for elastic electron scattering from methylformamide

Dissociative electron attachment to methylacetylene and dimethylacetylene: Symmetry versus proximity

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Product

Resources

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Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻

Anion Photoelectron Spectroscopy of C₃N⁻ and C₅N⁻