Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters

Aguirre, Néstor F.; Díaz‐Tendero, Sergio; Hervieux, Paul-Antoine; Alcamı́, Manuel; Chabot, M.; Béroff, K.; Martín, Fernando

doi:10.1007/s00214-020-02702-z

Cited by 2 publications

(2 citation statements)

References 59 publications

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“…Up to 20 eV, the positive charge was on the fluorene + residue for all apparent channels [55] . The AEs of the channels composed of a neutral residue lay around 21 eV.…”

Section: Model Resultsmentioning

confidence: 96%

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Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation

Désesquelles,

Domin,

et al. 2023

ChemPhysChem

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The fluorene cation is a frequently studied molecule in the context of fragmentation experiments. This is because of its potential role in interstellar chemistry, notably as a precursor of PAH cages. In this paper, we analyze H, H+, H2 and H+2 losses from the fluorene cation using the SMF (Statistical Molecular Fragmentation) model. We calculate the probabilities of all the 534 possible fragmentation channels as a function of the excitation energy, up to the loss of three hydrogens. Four different types of hydrogen atom pairings (from the same carbon, from the same ring, from different rings and across‐the‐bay) have been tested in order to determine which types contribute to the actual production of hydrogen molecules. The simulated breakdown curves are in very good agreement with different experimental results when same ring pairing is taken into account. It was possible to deduce from the model the locations of the emitted H, H+, H2 and H+2 species.

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“…Up to 20 eV, the positive charge was on the fluorene + residue for all apparent channels [55] . The AEs of the channels composed of a neutral residue lay around 21 eV.…”

Section: Model Resultsmentioning

confidence: 96%

“…Up to 20 eV, the positive charge was on the fluorene + residue for all apparent channels. [55] The AEs of the channels composed of a neutral residue lay around 21 eV. The residues are also the neutral forms of the cation residues seen at lower energies (see SI).…”

Section: Quarto H 2 Lossmentioning

confidence: 93%

Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation

Désesquelles,

Domin,

et al. 2023

ChemPhysChem

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Theoretical investigation on the optical absorption spectra in cyclo[n]carbons (n= 10, 14, 18)

Hong,

Su,

2024

Chemical Physics Letters

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Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters

Cited by 2 publications

References 59 publications

Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation

Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation

Theoretical investigation on the optical absorption spectra in cyclo[n]carbons (n= 10, 14, 18)

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Charge and energy sharing in the fragmentation of astrophysically relevant carbon clusters

Cited by 2 publications

References 59 publications

Competition between Loss of H2 versus H+H in the Fragmentation of the Fluorene Cation

Competition between Loss of H2 versus H+H in the Fragmentation of the Fluorene Cation

Theoretical investigation on the optical absorption spectra in cyclo[n]carbons (n= 10, 14, 18)

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Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation

Competition between Loss of H₂ versus H+H in the Fragmentation of the Fluorene Cation