Star-shaped molecule of MnII4O6 core with an St=10 high-spin state. A theoretical and experimental study with XPS, XMCD, and other magnetic methods.
We report a comprehensive study of the electronic and magnetic properties of a star-shaped molecule comprising a MnII4O6 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 microB/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.
Khanra
Sumit
S
Max-Planck-Institut für Bioanorganische Chemie, Mülheim an der Ruhr, Germany.
Kuepper
Karsten
K
Weyhermüller
Thomas
T
Prinz
Manuel
M
Raekers
Michael
M
Voget
Sebastian
S
Postnikov
Andrei V
AV
de Groot
Frank M F
FM
George
Simon J
SJ
Coldea
Marin
M
Neumann
Manfred
M
Chaudhuri
Phalguni
P
D002942:Circular Dichroism / Q000379:methods*; D004583:Electrons; D008280:Magnetics; D008345:Manganese / Q000737:chemistry; D008958:Models, Molecular; D009942:Organometallic Compounds / Q000737:chemistry*; D013052:Spectrometry, X-Ray Emission / Q000379:methods*
D009942:Organometallic Compounds; D008345:Manganese