Photoionization and dissociative photoionization of propynal in the gas phase: Theory and experiment - Université de Rennes Accéder directement au contenu
Communication Dans Un Congrès Année : 2019

Photoionization and dissociative photoionization of propynal in the gas phase: Theory and experiment

Résumé

Propynal, as well as some of its isomers and fragments have been detected in the interstellar medium in several objects.1 In addition laboratory experiments have shown that propynal can be formed on interstellar ice analogues.2 In order to further understand the observed abundances and chemical reactions that may take place in these dilute media, investigations on the single photon ionization of the propynal molecule in the gas-phase, in the 10.00-15.75 eV energy range, are particularly relevant. Experiments have been carried out using the DELICIOUS3 spectrometer,3 in connection with the DESIRS beamline at SOLEIL. Mass spectra, PEPICO and TPEPICO spectra have been interpreted using ab-initio and DFT calculations similar to those presented in ref.4 The fragmentation mechanisms of the H2C3O+ parent cation have been also studied. The calculated appearance energies of all the fragments are in excellent agreement with the experimental findings. The theoretical characterization of the electronic excited states was used to interpret the TPEPICO spectra. The present results will be useful to interpret astrophysical abundances of propynal and its cation in the various interstellar environments where it is observed.

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Chimie
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Dates et versions

hal-03956575 , version 1 (25-01-2023)

Identifiants

  • HAL Id : hal-03956575 , version 1

Citer

Emilie-Laure Zins, Imene Derbali, Helgi Hrodmarsson, Zied Gouid, Martin Schwell, et al.. Photoionization and dissociative photoionization of propynal in the gas phase: Theory and experiment. SUM 2019 "Colloque des Utilisateurs de SOLEIL", Jan 2019, Gif-sur-Yvette, France. ⟨hal-03956575⟩
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