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Mutual neutralisation of O+ with O-: investigation of the role of metastable ions in a combined experimental and theoretical study.

Mathias PolineArnaud DochainStefan RosénJon GrumerMingChao JiGustav EklundAnsgar SimonssonPeter ReinhedMikael BlomNicholas S ShumanShaun G ArdAlbert A ViggianoMats LarssonHenrik CederquistHenning T SchmidtHenning ZettergrenXavier UrbainPaul S BarklemRichard D Thomas
Published in: Physical chemistry chemical physics : PCCP (2021)
The mutual neutralisation of O+ with O- has been studied in a double ion-beam storage ring with combined merged-beams, imaging and timing techniques. Branching ratios were measured at the collision energies of 55, 75 and 170 (± 15) meV, and found to be in good agreement with previous single-pass merged-beams experimental results at 7 meV collision energy. Several previously unidentified spectral features were found to correspond to mutual neutralisation channels of the first metastable state of the cation (O+(2Do), τ ≈ 3.6 hours), while no contributions from the second metastable state (O+(2Po), τ ≈ 5 seconds) were observed. Theoretical calculations were performed using the multi-channel Landau-Zener model combined with the anion centered asymptotic method, and gave good agreement with several experimentally observed channels, but could not describe well observed contributions from the O+(2Do) metastable state as well as channels involving the O(3s 5So) state.
Keyphrases
  • ionic liquid
  • density functional theory
  • high resolution
  • optical coherence tomography
  • molecular dynamics
  • molecular dynamics simulations
  • photodynamic therapy