Refining the Parameters of the Refined Spin-Pairing Energy Description
It is a general feature of monatomic entities (gaseous atoms or ions with charge + z) that the barycenters (the average energy of all the states belonging to a definite electron configuration) for a given element vary as a parabolic (quadratic) function of z (1,2) and for a given z, as a linear function of the atomic number Z. A typical example is the barycenter of3d2 of Sc+ situated 1.24 eV (leV=8065.73 cm−1) above the ground state belonging to 3d4s having the barycenter at 0.09 eV), almost at the same distance as the unique state of 4s2 situated at 1.45 eV. The same mechanism is involved in lanthanides, where the neutral atoms in 11 cases have the ground-state belonging to 4fq6s2 and of M+ to4fq6s. In the following, M is a lanthanide.
KeywordsLigand Field Theory Standard Oxidation Halide Ligand Interelectronic Repulsion Nephelauxetic Ratio
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