Doubly-charged gas phase cations
Shields, G. C.; Moran, T. F. Doubly-Charged Gas Phase Cations. Theor. Chim. Acta 1986, 69 (2), 147-159.
Unique features of doubly-charged stable organic ions are examined and the results correlated with experimental observations. Self-consistent field molecular orbital methods are used to compute structures and stabilities of CnH22+(n=2â€“9) ions which are prominent in electron impact ionization of hydrocarbon molecules. A simple curve crossing model is employed to rationalize charge transfer reactions of these ions.
Theoretica Chimica Acta