Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
10267045 | Electrochemistry Communications | 2005 | 5 Pages |
Abstract
The equilibrium constants for disproportionation of anthracene and perylene radical anions into neutral and dianion both in the absence and presence of solvent and for ion pairing of the dianions to tetraethylammonium ion have been computed by density functional B3LYP/6-311+G* theory. The disproportionation equilibrium is shown to be highly influenced by differential solvation effects and only modestly by ion pairing.
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Chemical Engineering (General)
Authors
Albert J. Fry,