| Literature DB >> 11388857 |
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.Entities:
Year: 2001 PMID: 11388857 DOI: 10.1021/ol0158415
Source DB: PubMed Journal: Org Lett ISSN: 1523-7052 Impact factor: 6.005