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Model Study of the Acid−Base Proton-Transfer Reaction of the ClH···OH 2 Pair in Low-Polarity Solvents †

✍ Scribed by Thompson, Ward H.; Hynes, James T.

Book ID
125911409
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
146 KB
Volume
105
Category
Article
ISSN
1089-5639

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## Abstract __Proton‐transfer reactions of the radical anion and cation of the 7‐Azaindole (7AI) dimer were investigated by means of density functional theory (DFT). The calculated results for the dimer anion and cation were very similar. Three equilibrium structures, which correspond to the non‐pr