How far do electrons move? A semiempirical investigation of thermal electron-transfer distances in cationic bis(hydrazine) and bis(hydrazyl) mixed-valence compounds

Authors :: Johnson, Robert C.
Hupp, Joseph T.
Source :: Journal of the American Chemical Society. March 7, 2001, Vol. 123 Issue 9, p2053, 5 p.
Publication Year :: 2001
Abstract: A computational approach for estimating thermal electron-transfer reaction distances in symmetrical mixed-valence compounds is presented. It is concluded that electronic delocalization effects can prompt effective one-electron-transfer distances to differ from simple geometric separation distances.

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