Double proton migrations in the associates of formic acid with nitrous,nitric, orthophosphoric,and sulfuric acids

Mechanisms of the proton transfer in dimeric associates of formic acid with nitrous, nitric, orthophosphoric, and sulfuric acids were studied by theab initio (HF/6-31G^**) method. The mechanism of the cooperative (concerted or one-step) proton transfer was shown to occur in all cases. The calculated activation barriers of the proton transfer reactions for the associates investigated are equal to 19.9, 14.2, 13.3, and 10.7 kcal mol^–1, respectively.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 2184–2189, September, 1996.