Projekt 5: Ab initio- und Modell-Untersuchungen freier und deponierter magnetischer Moleküle

1. Förderphase; kein Verlängerungsantrag für 2. Förderphase


Projektleiter:

Prof. Dr. Christian Schröder
Prof. Dr. Jürgen Schnack
Prof. Dr. Achim Müller

Thema:

Die Kernaufgabe besteht darin, als Querschnittsprojekt für mehrere der experimentellen Projekte innerhalb der Forschergruppe die theoretische Modellierung auf breiter Basis zu übernehmen.

Publikationen:

(A)   T. Glaser, M. Heidemeier, E. Krickemeyer, H. Bögge, A. Stammler, R. Fröhlich, E. Bill, J. Schnack; „Exchange Interactions and Zero-Field Splittings in C3-Symmetric MnIII6FeIII: Using Molecular Recognition for the Construction of a Series of High Spin Complexes Based on the Triplesalen Ligand”; Inorg. Chem. 2009, 48, 607-620.

(B)   E. Krickemeyer, V. Hoeke, A. Stammler, H. Bögge, J. Schnack, T. Glaser; „Synthesis and Characterization of the Heptanuclear Triplesalen Complex [MnIII6CoIII]3+: Evidence for Exchange Pathways Involving CoIII l.s.“; Z. Naturforsch. 2010, 65b, 295-303.

(C)  R. Schnalle, J. Schnack; „Calculating the energy spectra of magnetic molecules: application of real- and spin-space symmetries“; Int. Rev. Phys. Chem. 2010, 29, 403-452.

(D)  C. Schröder, R. Prozorov, P. Kögerler, M. D. Vannette, X. Fang, M. Luban, A. Matsuo, K. Kindo, A. Mülller, A. M. Todea; „Multiple nearest-neighbor exchange model for the frustrated magnetic molecules {Mo72Fe30} and {Mo72Cr30}“; Phys. Rev. B 2008, 77, 224409.

(E)   M. Prinz, K. Kuepper, C. Taubitz, M. Raekers, S. Khanra, B. Biswas, T. Weyhermüller, M. Uhlarz, J. Wosnitza, J. Schnack, A. V. Postnikov, C. Schröder, S. J. George, M. Neumann, P. Chaudhuri; „A Star-shaped Heteronuclear CrIIIMnII3 Species and Its Precise Electronic and Magnetic Structure: Spin Frustration Studied by X-ray Spectroscopic, Magnetic and Theoretical Methods“; Inorg. Chem. 2010, 49, 2093-2102.

(F)   C. Schröder, Y. Furukawa, M. Luban, R. Prozorov, F. Borsa, K. Kumagai; „Spin freezing and slow magnetization dynamics in geometrically frustrated magnetic molecules with exchange disorder“; J. Phys.: Condens. Matter 2010, 22, 216007.

(G)  A. M. Todea, A. Merca, H. Bögge, T. Glaser, L. Engelhardt, R. Prozorov, M. Luban, A. Müller; „Polyoxotungstates now also with pentagonal units: supramolecular chemistry and tuning of magnetic exchange in {(M)M5}12V30 Keplerates (M = Mo, W)“; Chem. Commun. 2009, 3351–3353.

(H)   P. Kögerler, B. Tsukerblat, A. Müller; „Structure-related frustrated magnetism of nanosized polyoxometalates: aesthetics and properties in harmony“; Dalton Trans. 2010, 39 (2010) 21-36.

(I)    A. M. Todea, A. Merca, H. Bögge, T. Glaser, J. M. Pigga, M. L. K. Langston, T. Liu, R. Prozorov, M. Luban, C. Schröder, W. H. Casey, A. Müller; „Porous Capsules {(M)M5}12FeIII30(M=MoVI,WVI): Sphere Surface Supramolecular Chemistry with 20 Ammonium Ions, Related Solution Properties, and Tuning of Magnetic Exchange Interactions“; Angew. Chem. 2010, 122, 524-529.