Abstract
The mechanisms of the proton transfer in associates of two molecules of formic acid with one molecule of hydrazine or hydrogen peroxide were studied usingab initio (SCFj6-31G**) method. The mechanism of cooperative (concerted, one-step) four-proton transfer is realized in the associate with the hydrazine molecule. The proton transfer occurs stepwisevia an intermediate in the associate with a hydrogen peroxide molecule. The calculated activation barriers to the proton transfer in the associates investigated are 34.7 kcal mol−1 and 27.1 kcal mol−1, respectively.
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