酸解離定数, HSAB則
Acid dissociation constant (pKa) is an important parameter that related to a stability and chemical reaction of a substance in nature. Conventionally, the intensity of the acid, since only discussed in the electro-donating or electro-withdrawing characters by empirical substituents, we could not quantitatively predict the strength of an acid compound having a complicated structure. In this study, we examine the correlation of the molecular structure and the value of the pKa of the acid, through the discussion using an electron theory, to consider how to allow the quantitatively prediction of the pKa of a substance. If it is possible to quantitatively predict the pKa of the substance, by the use of the pH partition hypothesis, we think the absorption rate in the body of the drug becomes possible to predict in advance.
