CNDO/2 calculation on gas-phase basicity of amines, alcohols and ethers

The gas-phase basicity of about seventy compounds containing N or O have been calculated by means of the CNDO/2 method. For alkylamines, alcohols, ethers and carbonyl compounds, computational results agree qualitatively with the experimental values. We have also discussed the relationships between gas-phase basicities and charge distributions and ionization potentials of these molecules.