Sandwich Complexes of the Metalloaromatic η3-Al3R3 Ligand

Metal sandwich complexes made of metallic Al3R3 aromatic three-membered rings have been characterized, and their structural and electronic properties have been studied using density functional theory. The perfluorinated cyclotrialane ring has been identified as a very stable ligand for sandwichlike complexation, as it bears both large sigma and large pi aromaticities. We have demonstrated that the perfluorocyclotrialane ligand can sandwich metals and metal dimers while retaining its aromaticity upon complexation. Also, we have found that atomic magnetism is preserved upon complexation of magnetic transition-metal atoms. Finally, we have studied the assembly of these sandwichlike complexes into linear polymer-like structures.