A dramatic change of kinetic conditions and molecular mechanism of decomposition processes of nitroalkyl carboxylates catalyzed by ethylammonium cations

- Nitroalkyl esters decomposition process.
- Nitroalkene synthesis.
- New insight into reaction mechanism.

DFT calculations at different theory levels, indicate consistently, that in the presence of ethylammonium cation, a nitroethyl benzoates decomposition process is expected to take place much faster than under “conventional” (non-catalyzed) conditions. The one-step mechanism being replaced by a two-step mechanism involving a zwitterionic intermediate.

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