ELECTRONIC-STRUCTURE OF DINUCLEAR TRIGONAL-LANTERN AMIDINATO COMPOUNDS OF IRON AND COBALT .5.

The electronic structures of the trigonal lantern-shaped dinuclear com pounds of diiron and dicobalt have been studied in terms of quantum me chanical calculations employing both the SCF-X alpha-SW molecular orbi tal method and ab initio methods including configuration interaction. The results of the calculations are in full agreement with experimenta l observations and thus explain the large number of unpaired electrons in these compounds along with the presence of metal-to-metal bonds. T he nature of the metal-metal interactions and structural features are also discussed in detail on the basis of the ab initio calculations of both ground state and excited states.