The CH2+ dication: Metastable or not? A combined theoretical and experimental investigation

Wolfram Koch, Bowen Liu, Thomas Weiske, Carlito B Lebrilla, Thomas Drewello, Helmut Schwarz

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

New charge-stripping mass spectrometry experiments give no indication of metastable CH2+ dications, contrary to earlier experiments. This result is supported by extensive ab initio calculations using a large Slater-type basis set on the three lowest 2Σ+ states of CH2+. Although the ground state potential curve is considerably perturbed by excited states, the perturbations are not sufficient to generate a potential minimum. The experimental artifacts encountered in the previous experimental studies which led to the erroneous conclusion of CH2+ as a metastable dication are analyzed.

Original languageEnglish (US)
Pages (from-to)147-152
Number of pages6
JournalChemical Physics Letters
Volume142
Issue number3-4
DOIs
StatePublished - Dec 11 1987
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

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