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

โœ Scribed by Ajeet Singh; Bishwajit Ganguly


Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
32 KB
Volume
2007
Category
Article
ISSN
1434-193X

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DFT Studies toward the Design and Discov
โœ Ajeet Singh; Bishwajit Ganguly ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 74 KB

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.