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12-01 :: January 2012


nanotimes EU-Projects


Exciting Results for Excitation of Nanostructures


The “Nanoscale quantum simulations for nano- structures and advanced materials” (Nanoquanta) project was developed to create a Network of Excel- lence (NoE) integrating nanoscience experimental studies with quantum mechanical theory and compu- ter simulation to study electronic and optical pro- cesses and thus further nanoscale functional design.


The Nanoquanta network significantly advanced the application of two important theories, the many- body perturbation theory defining electron correla- tion in molecules and the time-dependent density- functional theory (TDDFT), another many-body formulation describing the properties of such systems in the presence of an electric or magnetic field. The former is now routinely applied to nanostructures and advanced materials and the latter to numerous time-dependent functions.


The network thus employed numerous theoretical and computational methods to investigate the quan- tum interactions of light with electrons in nanostruc- tures.


Contact: Rex Godby (Prof.), University of York, Depart- ment of Physics, YO1 5DD, York, U.K., Phone: +44 1904 432231: http://www.etsf.eu


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Improving on the Attraction of Nanomagnets


The main aim of the EU-funded project “Cage com- plexes with phosphonates” (Cacophos) was to use phosphonates to link metal cages together. Using X- ray crystallography, scientists studied these molecules and examined their magnetic and spectroscopic properties. The resulting cage complexes consisted of a polyhedral shape with a hollow central cavity.


Study results showed that various metals such as copper, iron and cobalt could be used in the reac- tions with phosphonates as block sites on the metal ions controlling the symmetry and stoichiometry of the products. This is a very promising approach for producing high symmetry cages. Cages containing up to 23 Manganese centres were constructed and preliminary results indicated that several of these complexes were SMMs. An important finding of the Cacophos project was the generation of polyoxo donor ligands from phosphonate condensation with nickel precursors.


Overall, the Cacophos project provided novel me- thods for constructing polynuclear metallic cages that can serve as SMMs or catalysts in various chemical reactions. Study findings are believed to have signifi- cant technological impact in modern chemistry and IT.


Contact: Liz Fay (Ms.), University of Manchester, Central Research Office, EU Funding and Development Manager, Oxford Road, M13 9PL, Manchester, U.K., Phone: +44- 1612757114:


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