Sandwich-Like Complexes Based on “All-Metal” (Al4 2-) Aromatic Compounds

• Published in: Journal of the American Chemical Society Vol. 126; no. 11; pp. 3380 - 3381
• Main Authors: Mercero, Jose M, Ugalde, Jesus M
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 24.03.2004
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Electronic and magnetic properties of clusters; Exact sciences and technology; Physics; Studies of special atoms, molecules and their ions; clusters; Geometrical structure; Electronic structure; Ionic cluster; Molecular orbital method; Frontier orbital; Aluminium compounds; Theoretical study; Density functional method; Complex cluster; Metal clusters; Sandwich structures; Electron detachment
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja039074b

We report a new sandwich-like structure (Al4TiAl4 2-) based on the recently synthesized all-metal aromatic Al4 2- squares. This structure has two aromatic squares (−2 charged each) trapping a titanium +2 cation. These all-metal aromatic squares have been detected by various metallic counterions, with a global charge of −1. Thus, we have also characterized a similar sandwich-like structure interacting with one and two sodium atoms with global charges of −1 and 0. The properties of these compounds strongly support the idea that they may be formed by Al4 2- aromatic squares.