PD Dr. Hubert Koller
WWU Münster
Institut für Physikalische Chemie |
The scientific target in this project is the generation of dispersed, catalytically active metal nanoclusters in solgel silica cages with well-defined container size. One novel aspect is that the imprinting moieties for the generation of void space are metal nanoclusters which are surrounded by stabilizing shells, typically tetraoctylammonium bromide salts. A large impetus for a rational design of the materials is expected from solid state NMR investigations which gain insight into the molecular assembly processes. |
Prof. Dr. Romano V. A. Orru
VU Amsterdam
Department of Chemistry |
Our research focuses on the development of novel multicomponent reactions for the fast and flexible synthesis of a range of useful heterocyclic scaffolds. These can then be further elaborated. These heterocyclic scaffolds are also useful as bridging elements in m acro/supramolecular constracts of our other collaboration partner within the IRTG, Prof. Dr. Werner Uhl. |
Prof. Dr. Stefan Grimme
WWU Münster
Institut für Organische Chemie
Prof. Dr. F. M. Bickelhaupt
VU Amsterdam
Department of Chemistry |
The van der Waals (vdW, also called dispersive) interactions between atoms and molecules play an important role in many chemical systems. They are in delicate balance with electrostatic and exchange-rpulsion interactions and together they control e. g. the structures of DNA and proteins, the packing of crystals, the formation of aggregates, or the orientaion of molecules on surfaces or in molecular films. The accurate theoretical description of these effects is in general difficult but recent methodological developments of the applicants (SCS-MP2, DFT-D) now allow routine quantum chemical treatments of quite large molecular systems. The theoretical study of non-covalent interactions, their quantitative description and the influence on the chemical properties of molecular containers, macrocycles and supramolecular complexes is the topic of this project. A futher issue is the study of supramolecularly bound metal catalysts that activate C-X bonds. |
Prof. Dr. Werner Uhl
WWU Münster
Institut für Anorganische und Analytische Chemie |
Reaction of the tetraalkyldigallium compound R2Ga-GaR2 [(R = CH(SiMe3)2] with bifunctional carboxylic acids has been shown to yield organometallic macrocycles that can act as specific hosts for atoms or molecules by making, for example, use of peripheral donor atoms such as nitrogen that are able to coordinate to transition metals. The synthetic efforts will take place in close cooperation with the groups of Prof. Dr. Ernst-Ulrich Würthwein, Prof. Dr. Cornelis Johannes Elsevier and Prof. Dr. Romano V. A. Orru and will be supported by the results of quantum chemical calculations from the Groups of Prof. Dr. Stefan Grimme and Dr. F. M. Bickelhaupt.
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Prof. Dr. Werner Uhl
WWU Münster
Institut für Anorganische und Analytische Chemie |
The project investigates the synthesis and properties of new organometallic three-coordinate Group 13 element compounds that can act as polyfuntional Lewis acids. Special emphasis will be placed on the size, shape and relative orientation of theses acceptor molecules. The project will be carried out in close collaboration with the group of Prof. Dr. Norbert Mitzel and supported by theoretical investigations from the groups of Prof. Dr. Stefan Grimme and Prof. Dr. Koop Lammertsma.
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Prof. Dr. Jan Reedijk
Leiden University
Institute of Chemistry |
The Reedijk group is interested in the design of new anion-receptors. Extended bis(2-pyridyl)amino-triazine ligands take up a number of transition-metal ions to form molecules capable of acting as anion acceptors. Upon combination of these polyfunctional ligands with crown-ether functions a new generation of joint cation/anion receptors will be constructed. Additional functionalities will be introduced into these anion- or combined anion/cation-receptors by binding photoactive metal ions. |
Prof. Dr. Lies Bouwman
Leiden University
Institute of Chemistry |
Important challenges in the research on coordination and organometallic chemistry are to understand the relation between the ligand and metal-complex structures and the (catalytic) properties on the molecular level. The design of new ligands, with various steric and electronic constraints is a major challenge, and from here the prediction of the coordination geometry and intramolecular interaction and reactivity is a major goal. Methodologies in research vary from fundamental coordination chemistry (spectroscopy, magnetism, X-ray diffraction), including characterisation and structure of the solid compounds, to in situ characterisation of the solutions with NMR and (frozen solution) EPR, under (catalytic) reaction conditions.
The catalytic reactions studied in our group vary from electrocatalytic dihydrogen production, oxidation, aryl-aryl coupling reactions, dehydrative allylation of phenol, reductive and oxidative carbonylation to isocyanates to cascade-type reactions, such as hydroamidomethylation. Common main objective in all these studies is the development of new, atom-efficient reactions to be applied in important, major industrial segments. |
Prof. Dr. Ernst-Ulrich Würthwein
WWU Münster
Institut für Organische Chemie |
Our group is interested in the design of new building blocks for container molecules which undergo self-assembly with metal ions and lewis acids. Polyfunctional N-acylamidines and their analogues offer many donor sites for coordination. These ligands have been shown to amplify catalytic effects of transition metals in cross-coupling reactions. Bis-N-acylamidines with rigid spacers between the functional groups are studied to build up molecular cavities based on metal complexes.
Bis-N-acylamidine
Possible structures after coordination
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