On the Residual d- and f-Contractions in s2p6-Closed Shell Ions over Rock-Salt-Type Compounds

Abstract

Residual size contractions, Δ(3 d), Δ(4 d) and Δ(4 f + 5 d), in the relevant series ions with the filled 2 s 22 p 6-, 3 s 23 p 6-, 3 d 104 s 24 p 6-, 4 d 105 s 25 p 6-, and 4 f 145 d 106 s 26 p 6-electron shells have been demonstrated and evaluated over the rock-salt-series compounds. The obtained values range as follows: Δ(3 d) = 1.44 ∼ 1.59 (Å/3 d series), Δ(4 d) = 1.30 ∼ 1.45 (Å/4 d series), and Δ(4 f + 5 d) = 3.00 ∼ 3.08 (Å/4 fplus-5 d series). Since similar residual size contractions, Δ(3 d) = 1.49 ∼ 1.70 Å and Δ(4 d) = 1.40 ∼ 1.46 Å, have been obtained for the inert-gas series crystals with fcc structure, alkali-metal series crystals with bcc structure, and IVb-element series crystals with diamond structure, these size contractions are attributed to the contractions in the cores of atoms and ions.