Bonding in the aluminum cage compounds [Al(η5-C5R5)]4 and Al4X4, XH, F, Cl

✍ Scribed by Reinhart Ahlrichs; Michael Ehrig; Hans Horn

• Publisher: Elsevier Science
• Year: 1991
• Tongue: English
• Weight: 529 KB
• Volume: 183
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(91)80055-3

✦ Synopsis

We report extended basis set SCF treatments of the recently synthesized first stable Al' compound ( AICsR,)4, R = CH3 experimentally, R-H in the calculations. For comparison we consider the series AIX, X=H, F, Cl, C5H,, and its tetramers. Bonding in the tetramers, showing an Al4 tetrahedron, is much weaker than in corresponding boron compounds and is especially weak in (AIC,H,), due to pronounced II backbonding in the monomer which interferes with bonding in the Al4 tetrahedron.