| EPSRC Reference: |
GR/N06533/01 |
| Title: |
A DENSITY FUNCTIONAL STUDY OF METAL-METAL BONDING: IMPLICATIONS FOR STRUCTURE AND REACTIVITY |
| Principal Investigator: |
McGrady, Professor J |
| Other Investigators: |
|
| Researcher Co-Investigators: |
|
| Project Partners: |
|
| Department: |
Chemistry |
| Organisation: |
University of York |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 2000 |
Ends: |
30 September 2003 |
Value (£): |
59,687
|
| EPSRC Research Topic Classifications: |
|
| EPSRC Industrial Sector Classifications: |
| Electronics |
Pharmaceuticals and Biotechnology |
| No relevance to Underpinning Sectors |
|
|
| Related Grants: |
|
| Panel History: |
|
|
Summary on Grant Application Form |
|
The proposed research involves the development of theoretical models to describe metal-metal interactions in clusters. Metal-metal bonds are unique in their flexibility, varying from strong covalent interactions through to weak magnetic coupling. The relative importance of orbital overlap and electron correlation are very different at the covalent and weakly-coupled limits, and as a result, clusters have traditionally been placed in one category or the other. This practice obscures the fact that the two limits represent two limits of a continuum. The research described in this proposal will address this problem by placing both limits, along with all intermediate situations, in the context of a single bonding model.The research programme is structured to provide a progressive increase in complexity. Important issues to be addressed include the existence (or not) of bond-stretch isomerism, the mobility of metal-metal bonds in cubane clusters, and the possible role of metal-metal bonding in biological electron transfer. This apparently diverse set of experimental observations is linked by one common theme: the formation and/or cleavage of metal-metal bonds. Only by developing a deeper understanding of the fundamental electronic processes involved can we hope to fully appreciate the unique properties of metal cluster compounds.
|
|
Key Findings |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
Potential use in non-academic contexts |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
|
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 |
|
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
|
| Project URL: |
|
| Further Information: |
|
| Organisation Website: |
http://www.york.ac.uk |