… solution and gas-phase basicities is demonstrated, showing … that effects on solvation of
the base and ammonium ion … in the gaseous primary amine Lewis acid adducts produces …

… If we construct a molecular model of the DEMT-HOC4H9-(er( complex, we find a … kH, and
the lackof sensitivity to the base strength of the amine are entirely consistent with data in Tables …

… β i represent the acidity and basicity of the acidic and basic functional groups of the solute
and … Despite of the appreciable improvement in amine class, surface-SFED model is still need …

… For the calculation of basicity in solution (pK a of the conjugate base of a amine) a combination
of quantum mechanical gas phase energies and a continuum solvation model is utilized. …

… models against experimental data. Thus, assessment of the performance of the solvation
model … 8) with ΔpK a ≅ 7 with 22 amines including various alkyl and alicyclic amins and pyridine…

… strength in water with that in organic solvents cannot be expected to be as exact for amines
of … effects, solvation effects and entropy changes may enter which are specific for each amine. …

… was used in conjunction with the CPCM solvation model to predict both the absolute and …
The MeCN pK a of many amines may be extrapolated from the H 2 O pK a values by adding …

… the relative order ofthe basicities of amines in solution using the model of Miertus et al. [ 8,9] …
value of the basicity. The free energy of solvation of the neutral and protonated amine are …

… acidity and basicity to parameters based on the linear solvation free … Without further guidance,
we conclude that primary amines are … , we find no indication that primary amines are basic. …

… and high basicity can be studied. During the last decade continuum solvation models (CSM)…
superbases in acetonitrile using IPCM20 and amines in aqueous solution using SVPE,21 …