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Aqueous Basicity and Proton Affinity of Zwitterionic W-(N-Methylpiperidine)-alkanocarboxylates and W-(N-Piperidine)-alkanocarboxylic Acids

Barczyński P., Dega-Szafran Z., Dulewicz E., Petryna M., Szafran M.

Polish Journal of Chemistry

2000

Vol. 74, nr 8

1149-1161

Semiempirical geometry optimizations were performed for gaseous betaines. Four conformers were characterized and their PA values estimated. The PA values fulfilled the linear correlation with the aqueous pK values estimated in ref.1.

A post Hartree-Fock Quantum-Chemical Study of the Dimerization of 2-Pyrrolidinone

Gorb L., Jadżyn J., Wojciechowski K.

Polish Journal of Chemistry

1999

Vol. 73, nr 9

1549-1554

Results of an ab initio post Hartree-Fock study of the molecular structure, the relative stability, and the dipole moment of the hydrogen-bonded 2-pyrrolidinone dimers are reported.