Excited state spectroscopic

It is the goal of this chapter to provide an overview of the excited-state spectroscopic methods, including electronic absorption, circular dichroism (CD), magnetic... 

In this chapter, we have developed the information content of different excited state spectroscopic methods in terms of ligand field theory and the covalency of L—M bonds. Combined with the ground-state methods presented in the following chapters, spectroscopy and magnetism experimentally define the electronic structure of transition metal sites. Calculations supported by these data can provide fundamental insight into the physical properties of inorganic materials and their reactivities in catalysis and electron transfer. The contribution of electronic structure to function has been developed in Ref. 61. 

Excited-State Spectroscopic Probes / 149 C. Metallo-bis(dithiolenes) Possessing Axial Oxo Ligands / 166... 

There have been a considerable number of MO calculations performed on four-coordinate square-planar metallo-bis(dithiolene) complexes at various levels of theory (283, 327, 328, 379-384). The most important differences in the results of these various calculations rests in the energy level ordering of the valence MOs as well as the degree of metal-sulfur covalency. This point is important as the nature of the MO scheme has greatly affected how the results of both ground and excited-state spectroscopic studies on very similar... 

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