• Oreilly, Andrea
• Booth, Andrew
• Mcmullin, Claire
• Coles, Martyn
• Fulton, Robin

Abstract

Under forcing conditions, the aluminyls [AM{Al(NON)}]2 ([NON]2− = [O(SiMe2NDipp)2]2−, Dipp = 2,6-iPr2C6H3, AM = Na, K) react with benzene to give the 1,4-phenylene di(hydrido)aluminate complexes, AM2[1,4-{Al(NON)(H)}2(C6H4)]. Crystal structure analysis of the products shows that the ’Al(NON)(H)’ groups are in the plane of the para-substituted C6-ring, with the alkali metals above and below forming an inverse sandwich structure. Density functional theory calculations were performed to analyse the mechanism leading to the di-substituted product. Results identify a viable dimeric pathway and show that each alumination step is preceded by a Meisenheimer-type intermediate leading to the observed trans-dialuminated product.

Topics

• density
• impedance spectroscopy
• theory
• Sodium
• Potassium
• density functional theory
• forming
• additive manufacturing