A theoretical study of the electronic structure of transition-metal complexes

Among the many interesting chemical and physical properties of transition-metal ions is their curious ability to exhibit two different magnetic moments when combined with various ligand groups. The existing hybrid orbital treatment of these transition-metal complexes correlates the experimentally measured magnetic moments with the bond character between metal and ligand; that is, these complexes with the smaller moment are classed as covalent, using, e.g., 3d24s4p3 octahedral hybrid metal orbitals; those with the higher moment are classed as ionic. A more recent suggestion is that ionic complexes make use of certain high energy ("outer d" ) orbitals of the metal in forming, e.g., 4s4p34d2 octahedral hybrids. As a pure theory, the hybrid orbital treatment is deficient in this application3 since its essential ingredients are derived only from experiment. Disciplines Chemistry | Engineering | Metallurgy This report is available at Iowa State University Digital Repository: http://lib.dr.iastate.edu/ameslab_iscreports/160 .~ ,.... ei:. n, ooni