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 language | English |
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| Pages (from-to) | 815-818 |
| Journal | Journal of the Chemical Society, Perkin Transactions 2 (2001) |
| Issue number | 4 |
| Publication status | Published - 1 Dec 1984 |