SPP 1137:  Molecular Magnetism

• Subject Area: Chemistry ; Biology ; Physics
• Term: from 2002 to 2008
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5471648

Miniaturization is a key technological aspect; therefore it is expected that, in the future, single molecules acting as nanosized magnets will gain considerable importance in practical applications. The priority programme "Molecular Magnetism" focusses on the nvestigation of all aspects of magnetic properties associated with molecules or solids derived from molecular entities. The specific topics are (i) magnetic exchange interactions between magnetic centers in discrete molecules (coordination compounds, organic radicals and biomolecules); (ii) magnetic properties of supramolecular solids; (iii) spin-crossover systems; and (iv) physical and theoretical studies of molecular magnetism. Special attention is given to the synthesis of new magnetic materials, to the study of quantum-effects in nanosized molecular magnets and of the magnetic cooperativity and ordering occurring in supramolecular magnetic solids as well as to multifunctional spin-crossover systems. The priority programme also addresses basic theoretical aspects of molecular magnetism, that is, on establishing the fundamental principles underlying the magnetic behavior of isolated molecules containing interacting magnetic centers as well as of assemblies of molecules. Although the results of this research programme may potentially have a high impact on the future development of devices with molecular dimensions, the priority programme is intended to focus primarily on fundamental research of molecular magnetism and not on its practical applications.

• DFG Programme: Priority Programmes
• International Connection: France, Italy, Slovakia, Ukraine

Projects

• Are the magnetic molecule Mo12O30(OH)10H2[Ni(H2O)3]4 and its isostructural relatives showing magnetostriction? (Applicant Schnack, Jürgen )
• Calculation of the electronic structure of spin-crossover complexes and of biomolecules with exchange-coupled spins using density functional theory methods (Applicant Trautwein, Alfred X. )
• Cooperativity in thin films of spin crossover iron complexes (Applicant Schünemann, Volker )
• Coordinator Fond in the priority programme "Molecular Magnetism" (Applicant Krüger, Ph.D., Hans-Jörg )
• Dendritic Molecular Magnets: Magnetic Properties as a Function of Structure (Applicant Plass, Winfried )
• Design, synthesis, and physical studies of multifunctional magnetic materials: optically active (conductive) magnets, high spin molecules (Applicant Train, Cyrille )
• Effect of pressure and light on spin crossover and molecular magnetic interactions (Applicant Gütlich, Philipp )
• Exchange coupled high spin Co(II) and Ni(II) complexes with high magnetic moment (Applicant Haase, Wolfgang )
• Exchange-coupled Homo- and Heteropolynuclear Complexes (Applicant Chaudhuri, Phalguni )
• Hamiltonian of the Magnetic Molecule Spin System from First-Principles Density-Functional Calculations (Applicant Blügel, Stefan )
• High-Spin Building Blocks for Molecule Based Magnets with Ferromagnetic Interaction based on Double Exchange (Applicant Glaser, Thorsten )
• Investigation of Spin Transition Processes and Magnetic Exchange Interactions in Discrete Transition Metal Complexes (Applicant Krüger, Ph.D., Hans-Jörg )
• Investigation of the spin dynamics of polynuclear metal complexes by NMR (Applicant Pilawa, Bernd )
• Lattice dynamics contribution to the magnetic properties of molecular magnets: Raman and ultrasonic studies (Applicant Lemmens, Peter )
• Limits and Performance of the calculation of magnetic anisotropy energy from first-principles DFT calculations (Applicant Kortus, Jens )
• Magnetic Circular Dichroism and Theoretical Studies in Molecular Magnetism (Applicants Bill, Eckhard ;  Neese, Frank )
• Magnetic Exchange via Borane Anions (3c-2e bonds) (Applicant Kersting, Berthold )
• Magnetic properties of large paramagnetic polyoxometalates: magnetochemical and magnetic resonance spectroscopy (Applicants Dressel, Martin ;  Müller, Achim )
• Magnetic properties of large paramagnetic polyoxometalates: magnetochemical and magnetic resonance spectroscopy (Applicant Müller, Achim )
• Magnetic Properties of Multinuclear Titanium Complexes (Applicant Beckhaus, Rüdiger )
• Molecular magnetism based on tetraphenylporphyrin templates with oligonuclear metal complexes (Applicant Jux, Norbert )
• Molecular magnetism of metallo-supramolecular, hierarchically ordered materials containing periodically arranged metal-ligand-complexes (Applicants Haase, Wolfgang ;  Kurth, Dirk G. ;  Pietsch, Ullrich )
• Molecular magnetism of metallo-supramolecular, hierarchically ordered materials containing periodically arranged metal-ligand-complexes (Applicant Pietsch, Ullrich )
• Molecular magnetism of metallo-supramolecular, hierarchically ordered materials containing periodically arranged metal-ligand-complexes (Applicant Haase, Wolfgang )
• Molecular magnets based on bioinspired iron and cobalt complexes (Applicant Jäger, Ernst-Gottfried )
• Nanomagnets with high molecular symmetry: ground state spin, anisotropy and macroscopic quantum tunneling (Applicant Müller, Paul )
• New polynucleating ligands and their metal complexes with spin crossover activity (Applicant Weber, Birgit )
• Oligonuclear carboxylate-brigded transition metal complexes as a) heteronuclear coordination compounds, b) coordination compounds with redox non-innocent ligands, c) complexes with additional organometallic capping groups (Applicant Rentschler, Eva )
• Oligonuclear High Spin-Cyclopentadienyl Complexes (Applicant Sitzmann, Helmut )
• Organic high spin molecules, their metal complexation and mixed radical crystals (Applicant Baumgarten, Martin )
• Preorganized bi- and trimetallic complexes as building blocks for the controlled assembly of extended coordination compounds with magnetic ordering (Applicant Meyer, Franc )
• Preparation, imaging and investigation of magnetic molecules on surfaces (Applicant Schleberger, Marika )
• Quantum chemical studies of electronic structure and magnetic properties: Zero-field splittings and paramagnetic NMR chemical shifts in molecular magnetism (Applicant Kaupp, Martin )
• Quantum Monte-Carlo and Series-Expansion Analysis of Spin-Models for Molecular Magnets (Applicant Brenig, Wolfram )
• Single Molecule Electronic Transport through Molecular Magnets (Applicant Schoeller, Herbert )
• Spin transmission through cyano ligands (Applicant Köhler, Frank H. )
• Structural and magnetochemical investigations into spin-spin exchange couplings in homo- and heteronuclear d-f complexes (Applicant Lueken, Heiko )
• Studies of complex supramolecular spin clusters and spin chains in high magnetic fields (Applicants Kataev, Vladislav ;  Klauss, Hans-Henning )
• Studies on the electronic structure and magnetic properties of molecule-based magnetic solids by means of X-ray spectroscopic techniques (Applicant Neumann, Manfred )
• Synthesis and characterization of molecular materials showing slow magnetic relaxation and magnetic memory effect (Applicant Sessoli, Ph.D., Roberta )
• Synthesis and investigation of mono- and multinuclear molecular coordination compounds with physical and chemical induced electronic multistability (Applicant Renz, Franz )
• Synthesis and Magnetic Investigations of New My-Carbamato-Metal Complexes and of Derived My-OH Compounds Using Directing Ligands (Applicant Ruben, Mario )
• Synthesis and magnetic properties of homo/hetero/oligo metallic supramolecular assemblies (Applicant Saalfrank, Rolf W. )
• Synthesis and Structural Characterization of Transition Metal-Substituted Polyoxoanions and Investigation of Their Unique Magnetic Properties (Applicant Kortz, Ph.D., Ulrich )
• Synthesis, structure and magnetic properties of oligonuclear polycyanometalates, encapsulated with transition metal bispidine complexes (Applicant Comba, Peter )
• The crystal engineering approach to creating novel molecular-based magnetic materials (Applicant Powell, Annie )

• Spokesperson: Professor Hans-Jörg Krüger, Ph.D.