Organometallic molecules, electronic structure

Chemical Properties. Simple molecular-orbital theory predicts that many organometallic molecules should show electronic effects similar to conjugated systems, since the electronic structure is generally expressed in terms of molecular orbitals which involve both ring and metal orbitals. The ESR spectra (Sec. III.C) provide physical evidence for this formulation however correlation between chemical reactivities and theoretical quantities, such as charge densities and localization energies, which has been of use in aromatic systems (60) has not been attempted. Indeed, very few detailed kinetic studies of organometallic compounds have been reported with which to compare theory. We consider the different classes of compounds in turn. 

Experimental Characterization of Electronic Structure and Bonding in Organometallic Molecules... 

Full characterization of a molecule must include its electronic structural features in addition to the molecular structure. The principles and models of organometallic bonding are some of the most... 

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