Polarizability of 79 Monatomic Cations In Vacuo: Periodic Trends and Correlations With Other Ion‐Specific Properties

In this study, a set of static dipole-dipole polarizabilities is obtained at the B2GP-PLYP, X2C/ANO-RCC level of theory for 79 chemically stable monatomic cations. Using the values of van der Waals radii, ionization energies, and electron affinities (obtained via the same method), further ion-specific descriptors are derived-both theoretically grounded and ad hoc parameters. Possible intercorrelations between polarizability, Pearson hardness, ionic potential, and electronegativity force are assessed. Periodic trends in cation polarizability are analyzed. The data presented in this paper may be useful in descriptive inorganic chemistry.