Hasan, Mazhar||Russell, Morley||Yeranos, Walter A.
M.S. (Master of Science)
Department of Chemistry
Molecular orbitals; Cobalt-ammonium compounds
In this investigation the temperature dependence of the near u.v. band responsible for Δ in Co(NH₃)₆Cl₃ was studied to elucidate vibronic effects. It was found that no simple explanation can be given to rationalize the intensity ratios of the 21.10 kK band and that the proper rational lies, perhaps, in a theoretical calculation. Using the Wolfsberg-Helmholz approximation a re-examination of the electronic structure of Co(NH₃)₆³⁺, Co(NH₃)₅Cl²⁺, and Co(NH₃)₄Cl₂¹⁺ was also done. The improvements such as SCF wave functions, the reciprocal mean, and variation of the VSIE were introduced and yielded better results than previously reported.. The inclusion of ligand-ligand overlap, however, did not inhance the calculations and, therefore, was disregarded.
Hasman, David Anthony, "Theoretical studies in the chloroammine complexes of Co(IV)" (1966). Graduate Research Theses & Dissertations. 6422.
viii, 73 pages
Northern Illinois University
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