Abstract: A recently proposed extension of the angular overlap model (AOM) is applied to the linear chain compounds [PtII(AA)2·PtIVX2(AA)2]∞4+ withX=Cl, Br, I;AA = ethylenediamine, 1,2- and 1,3-diaminopropane, and to Wolffram's red and Reihlen's green salt. The energy band structures are calculated from AOM parameters which are derived from d-d spectra of isolated Pt(II) and Pt(IV) complexes reported in the literature. Assignments of absorption edges and other peaks in the crystal spectra as well as spectral shifts due to changes in the geometric stru...
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Topics: 
Physical chemistry
Computational chemistry
Crystallography