Wolfram Koch, Bowen Liu, et al.
JACS
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. © 1987.
Wolfram Koch, Bowen Liu, et al.
JACS
Byron H. Lengsfield III, Bowen Liu
The Journal of Chemical Physics
Wolfram Koch, Bowen Liu, et al.
The Journal of Chemical Physics
Gernot Frenking, Wolfram Koch, et al.
Journal of the Chemical Society, Chemical Communications