Classical trajectory calculations for collision-energy/electron-energy resolved two-dimensional Penning ionization electron spectra of N2, CO, and CH3CN with metastable He* (23S) atoms

Masakazu Yamazaki, Satoshi Maeda, Naoki Kishimoto, Koichi Ohno

Research output: Contribution to journalArticlepeer-review

21 Citations (Scopus)

Abstract

In order to elucidate collisional reaction dynamics, collision energy dependence of partial ionization cross sections (CEDPICS) and collision-energy resolved Penning ionization spectra (CERPIES) were studied by 2D-PIES experiments and classical trajectory calculations based on ab initio molecular orbital calculations. Optimization of the Li model potential with additional correction functions revealed that CT interactions of the valence 2s electron in the He* atom with unoccupied molecular orbitals in the target molecule tend to be underestimated in the Li model.

Original languageEnglish
Pages (from-to)5707-5721
Number of pages15
JournalJournal of Chemical Physics
Volume117
Issue number12
DOIs
Publication statusPublished - 2002 Sep 22

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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