Details of Grant 

EPSRC Reference:	GR/T27778/01
Title:	The Superazolophanes
Principal Investigator:	McNab, Professor H
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	Sch of Chemistry
Organisation:	University of Edinburgh
Scheme:	Standard Research (Pre-FEC)
Starts:	29 August 2005	Ends:	28 August 2008	Value (£):	193,606
EPSRC Research Topic Classifications:	Chemical Synthetic Methodology
EPSRC Industrial Sector Classifications:	Chemicals Pharmaceuticals and Biotechnology
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Summary on Grant Application Form
The purpose of this research is to synthesise a range of world-record superazolophanes. These are molecules in which two heteroaromatic five-membered rings are joined at each vertex by a chain of two carbon atoms. Structures of this general type have been made with both six- and four-membered ring geometries but are unknown for the azole series. Such compounds are likely to be of considerable theoretical and structural interest since the two pi-systems - and two lone pairs - of the azole rings are held rigidly parallel to one another and extremely close together. The synthetic methods proposed depend on key carbon-carbon bond forming processes which take place in the gas-phase under high termperature (flash vacuum pyrolysis, or FVP) conditions. These include dimerisation reactions of azolylmethyl radicals and of xylylene-type intermediates; although known in principle, considerable innovation and development will be required to map the previous methodology onto the availability of the azole precursors. With samples of the superazolophanes in hand, their X-ray crystal structures will be studied to gain an understanding of the inter-ring electronic interactions; in particular a charge density study will be carried out to locate the sites of electon density. Finally, the chemistry of the superazolophanes will be studied to provide information on the conseqences of the unique structural environment on pi-system reactivity.
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Organisation Website:	http://www.ed.ac.uk