Atomic radii for atoms with the 6s shell outermost: The effective atomic radius and the van der Waals radius from 55Cs to 80Hg

Abstract

We consider, for atoms from 55Cs to 80Hg, the effective atomic radius (rear), which is defined as the distance from the nucleus at which the magnitude of the electric field is equal to that in He at one half of the equilibrium bond length of He2. The values of rear are about 50% larger than the mean radius of the outermost occupied orbital of 6s, <r6s >. The value of rear decreases from 55Cs to 56Ba and undergoes increases and decreases with rising nuclear charge from 57La to 70Y b. In fact rear is understood as comprising two interlaced sequences; one consists of 57La, 58Ce, and 64Gd, which have electronic configuration (4fn−1)(5d1)(6s2), and the remaining atoms have configuration (4fn)(6s2). The sphere defined by rear contains 85%–90% of the 6s electrons. From 71Lu to 80Hg the radius rear also involves two sequences, corresponding to the two configurations 5dn+16s1 and 5dn6s2. The radius rear according to the present methodology is considerably larger than rvdW obtained by other investigators, some of who have found values of rvdW close to <r6s >.