Details of Grant 

EPSRC Reference:	EP/F032463/1
Title:	Towards the Mechanism(s) of Early Transition Metal Promoted Selective Olefin Oligomerisation Catalysis - Synthesis, Spectroscopic and XAFS Studies
Principal Investigator:	Evans, Professor J
Other Investigators:	Tromp, Professor M Reid, Professor G
Researcher Co-Investigators:
Project Partners:	Sasol Technology
Department:	Sch of Chemistry
Organisation:	University of Southampton
Scheme:	Standard Research
Starts:	01 September 2008	Ends:	30 June 2012	Value (£):	614,868
EPSRC Research Topic Classifications:	Catalysis & Applied Catalysis
EPSRC Industrial Sector Classifications:	Chemicals
Related Grants:
Panel History:	Panel Date Panel Name Outcome 27 Nov 2007 Chemistry Prioritisation Panel (Science) Announced
Summary on Grant Application Form
The quest for more highly selective, cleaner and more efficient catalysts e.g for olefin trimerisation or tetramerisation remains a high priority for the chemical industry. Achieving these targets demands a detailed understanding of the catalytic cycle(s) and the nature of the active species. Characterisation of the individual stages in a homogeneous catalytic cycle is not easily achieved since the active species are likely to be highly reactive and often very transient, making their crystallographic characterisation highly unlikely. Furthermore, for the paramagnetic e.g. Cr-based catalysts NMR spectroscopy is not informative. Under this project we will develop and use a unique freeze-quench cell to allow the transient and active species to be trapped at various selected stages through the cycle, allowing in situ spectroscopic analysis by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near edge structure (XANES) spectroscopy techniques. We will prepare and characterise a series of related metal complexes based on Cr, Mo and Sc in the presence of a selected set of N-, S-, N/S- and N/P-donor ligands, including complexes of the industrially important NH(CH2CH2Sdecyl)2 and iPrN(PPh2)2. Using a range of techniques (UV-visible, EPR, 45Sc NMR spectroscopy), in conjunction with XAFS and XANES data using the set-up described above, we will probe in detail the oxidation state and structures at various stages through the activation and catalysis to provide a much more detailed understanding of the mechanisms at work. We also expect to demonstrate the potential of the new rapid (millisecond) freeze-quench XAFS/XANES approach much more widely to provide key information regarding other homogeneous catalysis systems.
Key Findings
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Potential use in non-academic contexts
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Impacts
Description This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk Summary Date Materialised
Sectors submitted by the Researcher
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Project URL:	http://www.rc-harwell.ac.uk/UKCatalysisHub
Further Information:
Organisation Website:	http://www.soton.ac.uk