Research Group Prof. P. Luger

Fields of Interest

The general interest of our group is directed to structure research on "Small Molecules", mainly from organic but also from inorganic chemistry. The investigations are based on diffraction experiments with conventional X-radiation and with synchrotron and neutron radiation supplied by large national or international research laboratories. Experiments are combined with theoretical calculations (usually ab initio) and computergraphical methods. Special interest is directed to diffraction experiments at low and ultra low temperatures. Our group operates one of the few X-ray diffractometers that are worldwide available for single crystal diffraction experiments down to 15 K. Supportet by a recent ###grand#?# of the DFG ### diffractometer will be coupled by a modern high sensitive area detector to allow a very fast data collection at low temperature around 20 K, mainly for the collection of charge density data sets. Subject of actual research are charge density determination and its topological analysis for the investigation of intra- and intermolecular electronic interactions, crystallization and structure determination of low melting compounds, structure and function of drugs and natural products from domestic plants in South East Asia.

Actual Research Projects

(a) Charge Density and Topological Analysis of Amino Acids and Oligopeptides based on fast X-ray data collections using synchrotron primary radiation and CCD area detection.

(b) Low temperature crystallisation, structure and charge density studies on low melting compounds, i.e. on compounds being liquid or even gaseous at normal conditions. Considered at present are the system nitrile/isonitrile, fluorenated alkenes and others, e.g. the NO2 problem.

(c) Structure and charge density of drug molecules and natural products with potential biological activity. In collaboration with drug developing groups in university or industry labs the implications of electronic properties derived from experimental charge density work to molecular design techniques are investigated. Compounds of current interest are new generation oral antidiabetics, antithrombotics and beta-lactam antibiotics. In collaboration with a number of research group in East Asia, we are working on the isolation and structural characterization of active compounds from domestic plants playing a role in traditional Asiatic medicine.

(d) Structure and charge density studies on larger molecules: fullerene derivatives, vitamin B-12.

(e) Temperature dependent structural studies on Cope systems, e.g. bullvalene, semibullvalene and barbaralane derivatives.

We have cooperation with:

Prof. Dr. W. Schunack und Prof. Dr. W. Loewe, Inst. für Pharmazie der FU Berlin;
Prof. Dr. W. Franke, Inst. für Mineralogie der FU Berlin;
Prof. Dr. R. Steudel, Inst. für Anorg. und Analyt. Chem. der TU Berlin;
Prof. Dr. G. Szeimies, Inst. für Organische und Bioorganische Chemie der Humbold Universität zu Berlin;
Prof. Dr H. Quast, Universität Osnabrück Hasylab/DESY, Hamburg;ILL Grenoble
Prof. Dr. Tibor Koritsànszky, State University of New York at Bufallo, USA
Dr. S.B. Mahato, Indian Int. of Chemical Biology, Kalkutta, Indien;
Prof. Dr. N.X. Dung, Faculty of Chem., Hanoi U., Vietnam;
Prof. Dr. S. Kashino und Prof. Dr. H. Yamamoto, Dept. of Chem., Okayama, Japan;
Prof. P Mac Dougall, University of Middle Tennessee / NASA, Ames, USA
Prof. R. W. Wong, National University of Singapore
Prof. M. A. Spackman, University of England, Armidele, Australien

Funds are acknowledged from:

DFG;
BMBF;
Fonds der Chemischen Industrie;
Alexander von Humboldt Stiftung;
DAAD;
International Union of Crystallography, Charge Density Group;
FNK der FU: Forschungsprojektschwerpunkt.


Further Information:

Fachbereichs-Broschüre 1996 (mostly German)

Christian Hübschle
 Last modified: Tue Dec 18 13:22:23 CET 2001