Details of Grant 

EPSRC Reference:	GR/T26047/01
Title:	X-ray crystallography facilities for chemistry at Sheffield
Principal Investigator:	Brammer, Professor L
Other Investigators:	Ward, Professor MD Hunter, Professor CA Thomas, Professor JA Adams, Mr H
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Sheffield
Scheme:	Standard Research (Pre-FEC)
Starts:	24 May 2005	Ends:	23 May 2008	Value (£):	312,720
EPSRC Research Topic Classifications:	Chemical Biology Chemical Structure Surfaces & Interfaces
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:
Panel History:
Summary on Grant Application Form
A new X-ray diffractometer is sought to support a wide range of new projects in the chemistry department at Sheffield . All of these projects have a proven requirement for state-of-the-art X-ray facilities which cannot be met with our existing equipment. The projects which will be supported by the diffractometer include the following: assembly of polynuclear cage complexes with two or three-dimensional cavities, and study of their host-guest chemistry (incorporation of guests such as counter-ions, solvent molecules or other species into the cavities); crystal engineering, specifically the use of metal complexes which have the capacity for intermolecular hydrogen-bonding or halogen-bonding as means to impart control in crystal design; design of electroactive coordination polymers and porous framework materials; charge density studies aimed at quantitive investigation of weak intermolecular interactions such as hydrogen and halogen bondingfor applications in crystal engineering and organometallic chemistry; structural characterisation of adducts of metal complexes with DNA, aimed at identifying the mode of action of possible metal la pharmaceuticaIs; and strutcural studies on weaklyassociated assemblies of organic molecules aimed at quantifying weak interactions such pi-stacking and hydrogen-bonding to molecular association. The instrument will also provide support to other synthetic chemistry projects in areas as diverse as homogenous catalysis, determination of reaction mechanisms, and new opto-electronic materials.
Key Findings
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Project URL:
Further Information:
Organisation Website:	http://www.shef.ac.uk