Are Aluminoxanes Nanotubular? Structural Evidence from a Quantum Chemical Study

Abstract

Tubes or cages? Quantum chemical calculations provide new evidence that methylaluminoxanes prefer nanotubular shapes with diameters of approximately 1 nm (see picture). These nanotubes are capable of adopting several structures, of which zigzag (4,0) is energetically favored. Supporting Information for this article is available on the WWW under http://www.wiley-vch.de/contents/jc_2002/2006/z600197_s.pdf or from the author. Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.