Theoretical study of the mechanism of solvolysis of methyl fluoride

Joan A. Revetilat, Antonio Oliva, Juan Bertrán

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)

Abstract

The mechanism of solvolysis of methyl fluoride has been studied by the CNDO/2 method using different numbers of water molecules. It is shown that the process implies the transfer of one proton through a chain of water molecules. The results obtained give theoretical support to Winstein's mechanism and demonstrate that solvent assistance to the carbocation in formation is a very important factor in the ionization part of the process.
Original languageEnglish
Pages (from-to)815-818
JournalJournal of the Chemical Society, Perkin Transactions 2
Issue number4
Publication statusPublished - 1 Dec 1984

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