Abstract
AbstractThe technique of energy partitioning in the MNDO SCF‐MO method has been used to understand the main electronic factors which determine the acidity order of the azolium cations. It is found that the greater acidity of thiazolium cation relative to the imidazolium one can be ascribed to a substantial stabilization of the one‐center energy term associated to the sulphur atom in the conjugate base, suggesting a higher effective electronegativity of this atom.
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