ChemInform Abstract: [Ta₃O₃]A (A: Li, Na, K) and [Ta₃O₃]B[Ta₃O₃] (B: Ca, Sr, Ba): Sandwich‐Type Complexes Containing Ta₃O₃^‐ δ and π Double Aromatic Ligands.

Abstract

Theory C 1000 [Ta3O3]A (A: Li, Na, K) and [Ta3O3]B[Ta3O3] (B: Ca, Sr, Ba): Sandwich-Type Complexes Containing Ta 3 δ and π Double Aromatic Ligands. -Half-sandwich-type C3v [Ta3O3]A (A: Li, Na, K) and full-sandwich-type D3h B[Ta3O3]2 (B: Ca, Sr, Ba) complexes containing Ta3 δ and π double aromatic ligands are characterized by DFT calculations. The Ta3 units serve as robust inorganic ligands in both complex series, which are mainly maintained by A + -[Ta3O3]or [Ta3O3] --B 2+ -[Ta3O3]ionic interactions. These new complexes are strongly thermodynamically favored in the gas phase and may be targeted in future experiments to open a new area of coordination chemistry by introducing δ and π double aromatic ligands into complex systems. -(LI*, S.-D.; MIAO, C.-Q.; GUO, J.-C.; Eur.