Basicity of some organic superbases in acetonitrile

Authors
Kovacevic, B Maksic, ZB
Citation
B. Kovacevic et Zb. Maksic, Basicity of some organic superbases in acetonitrile, ORG LETT, 3(10), 2001, pp. 1523-1526
Citations number
30
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
ORGANIC LETTERS
ISSN journal
15237060 → ACNP
Volume
3
Issue
10
Year of publication
2001
Pages
1523 - 1526
Database
ISI
SICI code
1523-7060(20010517)3:10<1523:BOSOSI>2.0.ZU;2-N
Abstract
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) emp loying the isodensity polarization continuum model (IPCM) for treating solv ent-solute interactions, High pK(a) values are predicted for two model comp ounds, and their synthesis is strongly recommended.