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Basicity of some organic superbases in acetonitrile
1Quantum Organic Chemistry Group, The "Ruder Boskovic" Institute, POB 180, 10002 Zagreb, Croatia.
Organic Letters
|June 5, 2001
Abstract:
[structure: see text] It is shown that the pK(a) values of strong neutral organic (super)bases in acetonitrile are well described by the density functional theory (DFT) employing the isodensity polarization continuum model (IPCM) for treating solvent-solute interactions. High pK(a) values are predicted for two model compounds, and their synthesis is strongly recommended.