Details of Grant 

EPSRC Reference:	GR/T21615/01
Title:	Engineering and Understanding Solid State Proton Migration and Transfer
Principal Investigator:	Wilson, Professor CC
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	School of Chemistry
Organisation:	University of Glasgow
Scheme:	Standard Research (Pre-FEC)
Starts:	01 February 2005	Ends:	31 January 2008	Value (£):	172,345
EPSRC Research Topic Classifications:	Chemical Structure
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:	GR/T21608/01
Panel History:
Summary on Grant Application Form
Co-crystallisation is a powerful method for the preparation of novel molecular assemblies that often display very different chemical and physical properties from either of the pure components. Our aim in this proposal is to use relatively simple building blocks to design complexes with the potential for exhibiting proton transfer characteristics, i.e. complexes in which the position of the hydrogen atom between donor and acceptor atoms can be tuned either by chemistry of by altering the external conditions. Although co-crystallisation of complexes is a well studied area, there are several novel aspects to this proposal. We will use a genuinely combinatorial approach to the potential of co-crystal formation, anticipating the production of novel phases - and hopefully producing ternary and possibly even higher order phases, as well as solvated phases. We will also expect to obtain novel phases by recrystallisation of complexes under pressure. We will then study these (and some known phases) using advanced parametric diffraction and related techniques, to assess in detail the potential for actual or incipient proton disorder, migration or transfer, building on our recent experience of using these techniques in this area. We will also attempt to gain a greater understanding of the underlying reason for migration and transfer (and the lack of it in many systems) by using advanced plane-wave DFT calculations, including variable temperature MD/DFT, which we have shown to be an effective means of examining this type of system under change.
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Organisation Website:	http://www.gla.ac.uk