engleski

Polycyclic croissant-like organic compounds are powerful superbases in the gas phase and acetonitrile—a DFT study

A new type of the pi-electron polycyclic organic superbases is proposed exhibiting very high proton affinities in the gas phase spanning the range from 280 to 323 kcal mol-1 and the pKa up to 41.4 units in the MeCN solutions. Their salient feature is formation of the (H+)-bridge upon protonation and a strong cationic resonance effect in the corresponding conjugate acids.

proton affinity; superbase; acetonitrile; DFT

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