AciditySolutions/solventsThermodynamicsThe concepts of acidity and pKa values often occupy a privileged place in the undergraduate organic chemistry curriculum. However, by neglecting the relationship between solvent and acidity, many students come to understand acidity as a fixed property of a molecule, ...
pka Table - pKa is an acid dissociation constant used to describe the acidity of a particular molecule. Its value is directly related to the structure of the given compound.
Molecular acidity is an important physicochemical property, which is often represented by the pKa value as the measure of acidity strength. However, the accurate calculation and prediction of pKa values is still an unsolved problem for computational chemistry. In this work, we present for the first...
Cativiela, C.; Dejardin, J. L.; Elguero, J.; Garcia, J. I.; Gonzalez, E.; Mayoral, J. A. Acidity in Water (pKa Values) of Carboxylic-Acids Derived from Simple Heterocycles (Azoles and Azines). Collect. Czech. Chem. Commun. 1990, 55, 72-79....
Explore the concepts of pKa and pH values and how they relate to acids and bases. Learn the trends in pKa value for functional groups, acids, and...
The pKa' values for these 1,8-disubstituted arene naphthols have been measured in acetonitrile/water (R = NO2, 8.42; R = Cl, 8.52; R = H, 8.56; R = Me 8.68; and R = OMe, 8.71) and indicate a correlation with the electronic nature of the arene substituent, as determined through...
The acidities of 18 5,6-substituted uracils have been numerically estimated as pKa values in terms of three theoretical models. The first scheme includes the calculation of the gas-phase acidity of uracil with the G3MP2B3 method and taki... MG Ilyina,EM Khamitov,SP Ivanov,... - 《Jou...
Now let’s look at water (pKa14) and acetic acid (pKa4) Click to Flip Note that each unit of difference in pKaindicates an order of magnitude difference in acidity. We can get a rough idea of the position of the equilibrium by measuring the difference in pKavalues. ...
Gas phase carbon acidity and correlations with aqueous pKa values: A comparison of B3LYP/6-311++G(d,p), Gaussian-4 (G4), and experimental approaches Gas phase carbon acidity and correlations with aqueous pKa values: A comparison of B3LYP/6-311++G(d,p), Gaussian-4 (G4), and ...
pKa and pH - The fundamental distinction between pKa and pH is that pKa denotes an acid's dissociation, whereas pH denotes a system's acidity or alkalinity.