Abstract
Molecular orbital calculations at the ab initio STO-3G, 3-21G, 6-31G and 6-31G ∗ (5D) bases have been performed for the relative proton affinities of an extended series of substituted methylamines, XCH 2NH 2. The minimal basis STO-3G calculations give closest agreement with experiment averaged over all substituents for which comparisons are possible. However, for alkyl and fluoroalkyl substituents, the 6-31G *//6-31G * lead to the lowest mean deviation.
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