A study is presented on the basicities of alkyl-substituted amines both in the gas phase and
in solution. In the first step, calculated group hardnesses are used to clarify the origin of the …

The relative basicities of six monosubstituted dipolar trimethylamines (XCH2NMe2) were
determined in nine different solvents from potentiometric titration. Solvation effects on …

It is demonstrated that the variationof the gas-phase basicities of amines can be analyzed by
using two parameters: one global and one local (that is, site-dependent). Two global …

By using theoretically determined descriptors in quantitative structure–property
relationships, quick and good a priori predictions of molecular properties can be …

A purely electrostatic method that does not explicitly takeaccount of specific interactions
such as hydrogen bondshas been used to calculate the basicity ordering of methylamines in …

The basic strength of NH3, NH2 (CH3), NH (CH3) 2, and N (CH3) 3 has been evaluated by
generating for each species the orbital that plays the dominant role in electron delocalization …

The underlying cause for the anomalous basicityof the methylamine series in aqueous
solution is investigated. The proton affinity of theamines in the gas phase follows the order …

The group properties of substituents are invoked to explain the gas phase proton affinity of a
variety of primary amines XNH2. A triple correlation using the group electronegativity, group …

Computational studies have been used to examine the structural and energetic effects of
adding small numbers of water molecules to ammonia, methylamine, dimethylamine, and …

The basicities of a large number of organic bases and superbases, including nitrogen basic
centers in various chemical environments occurring in phosphazenes, amidines, amines …