Abstract
In order to connect the intrinsic basicity and acidity scales neutral molecules with high basicity and acidity are studied by density functional theory (B3LYP). Where placing the adequate molecules together they would undergo an intrinsic protolysis, and spontaneously the corresponding conjugate acid and base would be generated by a proton transfer process. Our accurate theoretical results bring forward, for the first time, evidence of the above-mentioned type of reactions, and they also show the excellent correlation of both the intrinsic basicity and acidity scales, which were determined independently.
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