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Rational Design and First Principles Studies Toward the Discovery of a Small and Versatile Proton Sponge

✍ Scribed by Ernesto Estrada; Yamil Simón-Manso


Publisher
John Wiley and Sons
Year
2006
Tongue
English
Weight
348 KB
Volume
118
Category
Article
ISSN
0044-8249

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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.