Abstract
Although the covalency character has been found even in the normal complexes by the analyses of the paramagnetic resonance spectra and optical absorption experiments recently performed, any reliable model for the electronic structures of complex ions has not yet been established. To clarify this problem, the electron distribution in a complex ion [Co(NH3)6]3+ is determined by means of the Thomas-Fermi method. To avoid the difficulty of multi-centre problem, the smoothing approximation is adopted. The Thomas-Fermi equation is reexamined from the stand-point of the variation principle, in order to investigate the validity of this approximation. In this paper, by the use of a trial function of spherical symmetry, the charge distributions for the total, valence- and core-electrons are calculated. Among these charge distributions, the charge distribution for valence-electrons seems most reliable and to approximate well the real situation in the complex ion. All faults brought by the smoothing approximation are discussed. In Appendix, the treatment of a trial function including an angle-dependent term is discussed.
