Details of Grant 

EPSRC Reference:	GR/R69075/01
Title:	Activation of light alkanes: in situ Solid State NMR study
Principal Investigator:	Kozhevnikov, Professor I
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Liverpool
Scheme:	Fast Stream
Starts:	16 May 2002	Ends:	15 May 2005	Value (£):	60,000
EPSRC Research Topic Classifications:	Catalysis & Applied Catalysis
EPSRC Industrial Sector Classifications:	Chemicals No relevance to Underpinning Sectors
Related Grants:
Panel History:
Summary on Grant Application Form
The proposal concerns the characterisation of catalysts and reactants involved in the activation of light alkanes to identify the active site. The major challenge and the novelty is to observe the behaviour of the catalyst in real conditions of experiment (temperature up to 573 K). The use of a triple resonance probe will permit to identify the intemuclear distances between a nucleus of the adsorbed molecule and a nucleus of the catalyst in thus to determine the species involved in the active site. For example we envisage the simultaneous observation of the 13C and 31 P, or 170 and 27AI, 170 and 31 P or 13C and 170. The NMR techniques employed will be the recent sequences based on Cross Polarisation, REDOR, and multi-sequence experiments. A mechanistic study will be realised using isotopically labelled compounds (13C, 170...) under controlled atmosphere and MAS-NMR technique. One important step is to prepare sealed cells that can fit with the 4 mm probe diameter. A structural characterization (27AI, 170, 51 V, 71 Ga) of the catalyst will be carried out as well, using high spinning frequency (around 12.5 kHz using of a 4 mm probe) and 2 dimensional techniques (170, 27AI MQMAS). The work will focus on two reactions, the direct oxidation of propane on mixed oxide catalysts based on P and V, and the transformation of alkanes in mild and non oxidative conditions over modified zeolite. In a first step the catalysts will be prepared by a conventional route before to extend the study to more complex preparations (mixed oxides for instance).
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Organisation Website:	http://www.liv.ac.uk