Transitionmetal carbene complexes: Experimental Electron Density - A Tool Towards Controlling Catalytic Activity
Final Report Abstract
The determination of experimental electron densities of transition metal complexes may in principle be used to gain insight into the electronic structure of such compounds. In particular, the topological analysis of the electron density offers visualisation of charge concentrations in the valence shell, illustrating common principles which are applied regularly in the theory of chemical bonding. The diffraction data for this experiment were collected using synchrotron radiation from beam line D3 at the HASYLAB. Similar experiments with two comparable ruthenium compounds did not yield the desired data quality. The work on molecular transition metal complexes has extended towards onedimensional co-ordination polymers of the form [MX2py2]n, where M = zinc or cadmium and X is a selected halogen, while py represents a family of substituted pyridines.
Publications
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(2007). Effective Modulation of the Donor Properties of N-Heterocyclic Carbene Ligands by "Through-Space" Communication within a Planar Chiral Scaffold. Journal of the American Chemical Society 129, 12676
A. Fürstner, M. Alcarazo, H. Krause, and C. W. Lehmann
