Dinuclear clusters electronic configuration

The calculation of spectroscopic parameters of the uranium dimer, U2, received considerable attention [1135]. The bonding situation of the U2-molecule implies a large number of nearly-degenerate electronic states, which require the multi-configurational approach for the calculation of the electronic wave function. This approach was also successfully applied to [1136], to the actinide dimers Th2, Ac2 and Pa2 [1137], and to the dinuclear clusters PhU-UPh [1138], U2CI6 and U2(OCHO)6 [1139]. 

For the mononuclear and dinuclear compounds, except V(CO)6, the mnnber of valence electrons per metal atom is 18. The EAN (effective atomic number) of the metal is the number of electrons of the d" configuration added to twice the number of CO groups, one electron being further added in the case of metal-metal bonded dinuclear systems. For trinuclear, tetranuclear, and hexanuclear compoimds (metal-carbonyl clusters), the cluster valence electron counting is 48, 60, and 86, respectively. As the [K(cryptand 2.2.2)] derivative. As the tetraalkylammonium derivative. As the tetrachloroaluminate. 

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