Posters

Facile Cycling of Ti-doped LiAlH4 for High Performance Hydrogen Storage, Xiangfeng Liua, G. Sean McGrady, Henrietta W. Langmia, Shane D. Beattie and Craig M. Jensen, GRC 2009
Hydrogenation of Polycyclic Aromatic Hydrocarbons in Supercritical Carbon Dioxide, Crystal L. Allen, Sarah A. Brough, Gregory C. Curtis, Christopher D. Willson, G. Sean McGrady, France 2009
Hetero-Polyaromatic Ring-Opening Reactions in scCO2, Gregory C. Curtis, Sarah A. Brough, Crystal L. Allen, Christopher D. Willson, and G. Sean McGrady, France 2009
Lewis Acid-Base Complexes of Aluminum Hydride, Terry Humphries, Andreas Decken, Keelie Munroe, Peter Sirsch and Sean McGrady, MIDW 2008
Toward the Direct Synthesis of Alane: Hydrogenation Studies of Aluminum in Supercritical Fluid Media, Terry Humphries, Keelie Munroe and Sean McGrady
Direct Hydrogenation of Aluminum in Supercritical Fluids, Terry Humphries and Sean McGrady, GRC 2007
Bitumen Upgrading in Supercritical Fluids, Sarah A. Brough, Crystal L. Allen, Gregory C. Curtis, Christopher D. Willson, and G. Sean McGrady
MRI of Hydrogen Storage Media, Bryce MacMillan, Uncharat Setthanan, Sean McGrady, Bruce Balcom
The Investigation of MgH2 and LiBH4 Mixtures Potential for Hydrogen Storage, Uncharat Setthanan and G. Sean McGrady
Mixed–Metal Li3N–Based Systems for Hydrogen Storage: Li3AlN2 and Li3FeN2, Henrietta W. Langmit, Scott D. Culligan and G. Sean McGrady, CSC 2009
Hydrogen Storage Properties of Ternary Nitrides Prepared by Mechanochemical Milling, Henrietta W. Langmi and G. Sean McGrady, GRC 2007
Destabilization and Kinetic Enhancement of Lithium Nitride for Hydrogen Storage, Henrietta W. Langmit, Scott D. Culligan and G. Sean McGrady, Iceland 2008

Presentations

Facile Cycling of Ti-doped LiAlH4 for High Performance Hydrogen Storage, Xiangfeng Liu, G. Sean McGrady, Henrietta W. Langmi, Shane D. Beattie and Craig M. Jensen, CSC 2009 Hamilton
Ternary Nitrides for Hydrogen Storage: Li–B–N, Li–Al–N and Li–Ga–N Systems, Henrietta Langmi and Sean McGrady, CSC 2007
Watching the dehydrogenation of etherated alane in a TEM, Shane Beattie, Terry Humphries, Louise Weaver and Sean McGrady, Americal Physical Society, New Orleans, March 2008

More research

Small molecules hold the key to understanding the structure and reactivity of the active species in many chemical and catalytic processes. Using a range of physical techniques we can gain a deeper insight into these aspects, our ultimate aim being to understand, control and direct reactivity. Recent research in the group has focussed on some complexes of transition metals relevant to important industrial processes such as metathesis and polymerisation of alkenes, and the activation of C-H and M-H bonds.

For example, the ethyl group in complex 1 adopts a distorted 'agostic' structure with an intramolecular C-H···Ti interaction, similar behaviour occurs during Ziegler-Natta alkene polymerisation. We have obtained the deepest understanding yet of the agostic interaction in 1 and related systems. We are now exploring the analogous situation in a series of silane complexes like 2, where a Si-H bond coordinates in an intermolecular manner to a reactive Mn centre. Such silane complexes are intermediates in the industrial production of silicones from alkenes. We are also exploring several novel aspects of the chemistry of the activated Si-H bonds in these complexes.

1		2

Transition-metal hydrides engage in a wide range of secondary interactions with various other metals and H-X moieties. Such interactions often have a crucial influence on their catalytic properties.

We employ a variety of spectroscopic and structural techniques to explore the nature of these types of interaction in small molecular systems, with the insights gained being used to direct subsequent synthesis and catalysis. For example, the boron atom in complex 3 exhibits a unique octahedral coordination to six Fe-H moieties, and the hypervalent silicon anion in 4 displays a uniquely linear Si-H···K interaction with the cation.

3		4

We have also commenced a wide-ranging program to develop light metal hydrides as hydrogen storage materials for use in fuel cells in a 'hydrogen economy'. This research has been given much impetus recently with the declining reserves of hydrocarbons, with the environmental and geopolitical issues associated with fossil fuels, and with the development of hybrid and electric cars. Light metal hydrides such as AlH3 (5) and complexes like NaAlH4 (6) , whi ch contain a high percentage of hydrogen by weight, are attractive as on-board sources of H2 in vehicular applications.

The research involves synthesis and manipulation of highly reactive molecules using vacuum-line and inert-atmosphere techniques. We apply a wide range of physical techniques to studying these molecules, both 'in-house' and in collaboration with other research groups. Our main methods of characterization and structure analysis are X-ray, neutron and electron diffractions, and NMR, vibrational and photoelectron spectroscopies. We also make extensive use of quantum chemical calculations to support and help us interpret our findings.

We are developing several projects along the lines of those described above. These will allow research workers to develop a wide range of skills in either or both synthetic and structural techniques. The collaborative nature of several projects offers the possibility to visit laboratories and research institutes in the USA and Europe.

For more information contact the lab manager: