Doubly-charged gas phase cations

Authors

George C. Shields, Bucknell UniversityFollow
T.F. Moran

Publication Date

1986

Description

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 C_nH ₂ ²⁺ (n=2–9) 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.

Journal

Theoretical Chemistry Accounts: Theory, Computation, And Modeling (Theoretica Chimica Acta)

Volume

69

Issue

2

First Page

147

Last Page

159

Department

Chemistry

Link to Published Version

http://www.springerlink.com/content/m6200546t17134g8/

Recommended Citation

Shields, George C. and Moran, T.F.. "Doubly-charged gas phase cations." Theoretical Chemistry Accounts: Theory, Computation, And Modeling (Theoretica Chimica Acta) (1986) : 147-159.