Details of Grant 

EPSRC Reference:	GR/R75441/01
Title:	Novel Very High Resolution 1H NMR as a Probe of Fundamental Non-Bonding Interactions in Solids
Principal Investigator:	Brown, Professor SP
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	Physics
Organisation:	University of Warwick
Scheme:	Advanced Fellowship (Pre-FEC)
Starts:	01 October 2002	Ends:	30 September 2007	Value (£):	213,988
EPSRC Research Topic Classifications:	Chemical Structure
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:
Panel History:	Panel Date Panel Name Outcome 23 Nov 2001 Chemistry AF & SF Sifting Panel Deferred 18 Jan 2002 Chemistry AF Interviews 2002 Deferred
Summary on Grant Application Form
Non-bonding interactions, i.e. hydrogen bonds and aromatic i interactions, play central roles in solid-state chemistry, e.g. in the self assembly of superstructures, as well as in fundamental life processes, e.g. in DNA. 1H NMR is wellsuited to the investigation of such interactions, because of the marked sensitivity of the 1H chemical shift to hydrogen bonding and the ring currents associated with aromatic moieties. In 1H solid-state NMR, the resolution of distinct resonances is hindered by line broadening due to strong homonuclear dipolar couplings. However, recently, by exploiting advances in NMR hardware and methodology, the feasibility of increasingly high-resolution 1 H solid-state NMR has been demonstrated. A primary aim of the proposed research is to increase the resolution of such 1 H solid-state NMR experiments and then routinely apply these approaches to provide unique structural and dynamic information about non-bonding interactions. Specific objectives include the investigation of the role of weak C-H . . .X and C-H . . .n hydrogen bonds, and the changes which occur upon liquid-crystalline phase transitions, as well as the probing of hydrogen-bond strengths by the measuring of heteronuclear (15N-1 H or 170-1 H) through-space dipolar and through-bond J couplings. The interpretation of the obtained experimental spectra will be aided by collaborations with researchers in quantum chemistry and X-ray diffraction.
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Organisation Website:	http://www.warwick.ac.uk