DFT Studies toward the Design and Discovery of a Versatile Cage-Functionalized Proton Sponge

✍ Scribed by Ajeet Singh; Bishwajit Ganguly

• Publisher: John Wiley and Sons
• Year: 2007
• Tongue: English
• Weight: 74 KB
• Volume: 2007
• Category: Article
• ISSN: 1434-193X
• DOI: 10.1002/ejoc.200600941

✦ Synopsis

Pentacyclo[5.4.0.0 2,6 .0 3,10 .0 ]undecane (PCU) derivatives were predicted to be superorganic bases by using DFT methods. The new molecular framework (PCU) is versatile in terms of anchoring different functional groups to achieve high basicities in both the gas and solvent phases.