D electron count

The d electron count or number of d electrons is a chemistry formalism used to describe the electron configuration of the valence electrons of a transition metal center in a coordination complex. The d electron count is an effective way to understand the geometry and reactivity of transition metal complexes. The formalism has been incorporated into the two major models used to describe coordination complexes; crystal field theory and ligand field theory, which is a more advanced version based on molecular orbital theory. However the d electron count of an atom in a complex is often different from the d electron count of a free atom or a free ion of the same element. For free atoms, electron configurations have been determined by atomic spectroscopy. Lists of atomic energy levels and their electron configurations have been published by the National Institute of Standards and Technology (NIST) for both neutral and ionized atoms. For neutral atoms of all elements, the ground-state electron configurations are listed in general chemistry and inorganic chemistry textbooks. The ground-state configurations are often explained using two principles: the Aufbau principle that subshells are filled in order of increasing energy, and the Madelung rule that this order corresponds to the order of increasing values of (n + l) where n is the principal quantum number and l is the azimuthal quantum number. This rule predicts for example that the 4s orbital (n = 4, l = 0, n + l = 4) is filled before the 3d orbital (n = 3, l = 2, n + l = 5), as in titanium with configuration [Ar]4s23d2. There are a few exceptions with only one electron (or zero for palladium) in the ns orbital in favor of completing a half or a whole d shell. The usual explanation in chemistry textbooks is that half-filled or completely filled subshells are particularly stable arrangements of electrons. An example is chromium whose electron configuration is [Ar]4s13d5 with a d electron count of 5 for a half-filled d subshell, although Madelung's rule predicts [Ar]4s23d4.