Dynamics of proton transfer from ArH+ to CO

Björn Bastian, Eduardo Carrascosa, Alexander Kaiser, Jennifer Meyer, Tim Michaelsen, Gábor Czakó, William L. Hase, Roland Wester

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Abstract

The reaction of ArH+ with CO is a fast proton transfer reaction that can form two different isomers, HCO+ and HOC+. It has been investigated in a crossed beam experiment and with direct dynamics simulations at collision energies ranging from 0.4 to 2.4 eV. Images of the differential cross sections reveal dominant forward scattering, which is evidence for direct dynamics. The measured product internal energies are primarily determined by the reaction enthalpy and only at large scattering angles depend noticeably on the collision energy. The computational results agree well with the measured internal energy and scattering angle distributions and with the previously measured total rate constant. The direct reaction dynamics with dominant forward scattering are well reproduced by the almost step like opacity functions. The HCO+/HOC+ branching is found to be close to 2:1 in the simulations at 0.83 eV and 2.37 eV collision energy. A mode-specific vibrational analysis provides further insight into the isomer specific distribution of the product internal excitation.

Original languageEnglish
Pages (from-to)175-185
Number of pages11
JournalInternational Journal of Mass Spectrometry
Volume438
DOIs
StatePublished - Apr 2019

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Keywords

  • Astrochemistry
  • Crossed beams
  • Direct dynamics simulations
  • Isomers
  • Proton transfer
  • Reaction dynamics
  • Velocity map imaging

Cite this

Bastian, B., Carrascosa, E., Kaiser, A., Meyer, J., Michaelsen, T., Czakó, G., Hase, W. L., & Wester, R. (2019). Dynamics of proton transfer from ArH+ to CO. International Journal of Mass Spectrometry, 438, 175-185. https://doi.org/10.1016/j.ijms.2018.12.004