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 Citations (Scopus)

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

Fingerprint

stripping
Excited states
Ground state
Mass spectrometry
artifacts
indication
mass spectroscopy
Experiments
perturbation
ground state
curves
excitation

ASJC Scopus subject areas

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

Cite this

Koch, W., Liu, B., Weiske, T., Lebrilla, C. B., Drewello, T., & Schwarz, H. (1987). The CH2+ dication: Metastable or not? A combined theoretical and experimental investigation. Chemical Physics Letters, 142(3-4), 147-152. https://doi.org/10.1016/0009-2614(87)80912-0

The CH2+ dication : Metastable or not? A combined theoretical and experimental investigation. / Koch, Wolfram; Liu, Bowen; Weiske, Thomas; Lebrilla, Carlito B; Drewello, Thomas; Schwarz, Helmut.

In: Chemical Physics Letters, Vol. 142, No. 3-4, 11.12.1987, p. 147-152.

Research output: Contribution to journalArticle

Koch, W, Liu, B, Weiske, T, Lebrilla, CB, Drewello, T & Schwarz, H 1987, 'The CH2+ dication: Metastable or not? A combined theoretical and experimental investigation', Chemical Physics Letters, vol. 142, no. 3-4, pp. 147-152. https://doi.org/10.1016/0009-2614(87)80912-0
Koch, Wolfram ; Liu, Bowen ; Weiske, Thomas ; Lebrilla, Carlito B ; Drewello, Thomas ; Schwarz, Helmut. / The CH2+ dication : Metastable or not? A combined theoretical and experimental investigation. In: Chemical Physics Letters. 1987 ; Vol. 142, No. 3-4. pp. 147-152.
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