Star-shaped molecule of (Mn4O6)-O-II core with an S-t=10 high-spin state. A theoretical and experimental study with XPS, XMCD, and other magnetic methods
Autor(en): | Khanra, Sumit Kuepper, Karsten Weyhermueller, Thomas Prinz, Manuel Raekers, Michael Voget, Sebastian Postnikov, Andrei V. de Groot, Frank M. F. George, Simon J. Coldea, Marin Neumann, Manfred Chaudhuri, Phalguni |
Stichwörter: | BRIDGE ANGLE; Chemistry; Chemistry, Inorganic & Nuclear; CIRCULAR-DICHROISM; COPPER(II); ELECTRONIC-STRUCTURE; LIGANDS; MAGNETOSTRUCTURAL CORRELATIONS; METAL-COMPLEXES; MN; NICKEL(II) COMPLEXES; SCHIFF-BASE | Erscheinungsdatum: | 2008 | Herausgeber: | AMER CHEMICAL SOC | Journal: | INORGANIC CHEMISTRY | Volumen: | 47 | Ausgabe: | 11 | Startseite: | 4605 | Seitenende: | 4617 | Zusammenfassung: | We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a (Mn4O6)-O-II core. One feature of this compound is weak magnetic coupling constants compared to other similar polyoxo compounds. This leads to complicated low-lying magnetic states in which the ground state is not well separated from the upper-lying states, yielding a high-spin molecule with a giant magnetic moment of up to 20 mu(B)/formula unit. We apply X-ray diffraction and magnetometry as well as other X-ray spectroscopic techniques, namely, X-ray photoelectron spectroscopy, X-ray magnetic circular dichroism, and X-ray emission spectroscopy. We compare our experimental results with ab initio electronic band structure calculations as well as the localized electronic structure around the Mn2+ ions with charge-transfer multiplet calculations. |
ISSN: | 00201669 | DOI: | 10.1021/ic7023007 |
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