High spin Mn molecular clusters for single-molecule nanomagnets [electronic resource] : spin state effects on the outer core-level multiplet structures

Published:: Washington, D.C. : United States. Dept. of Energy, 2000.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description:: PDF-file: 9 pages; size: 0.4 Mbytes
Additional Creators:: Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information

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Summary:

Oxo-bridged manganese polynuclear complexes have applications in a variety of technologies, such as single-molecule nanomagnets, catalysis and photosynthetic redox chemistry. The reason that these types of compounds are capable of such important and varied technologies is thought to be because they possess ground states with large spin values. However, the electronic, structural and magnetochemical relationships are not well understood and need to be thoroughly investigated to adequately explain why Mn is such an integral part of so many useful processes. X-ray photoemission spectroscopy was used to study the Mn 3p, 3s and valence band electronic behavior as a function of Mn cluster structural properties, where the cluster size and nuclearity are systematically varied. Results show a chemical shift of the Mn 3p{sub 3/2,1/2} spin-orbit pair related to the cluster size and nuclearity. Also, the Mn 3s ⁷S and ⁵S final state multiplet components shift since it involves the binding energy of a ligand valence electron. In addition, the branching ratio of the ⁷S:⁵S states is related to the 3s-3d electron correlation. Specifically, in the ⁷S state, the remaining 3s electron is well correlated with 3d electrons of parallel spin, while in the ⁵S state the two spins are antiparallel. Changes in this electron correlation are clearly observed in the ⁷S:⁵S branching ratio as a function of cluster size and ligand electronegativity.

Report Numbers:

E 1.99:ucrl-jc-139242-rev-1
ucrl-jc-139242-rev-1

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Note:

Published through SciTech Connect.
11/20/2000.
"ucrl-jc-139242-rev-1"
Material Research Society Fall 2000 Meeting, Boston, MA, Nov 27 - Dec 02, 2000.
Nelson, A J; Reynolds, J G; Christou, G.

Funding Information:

W-7405-ENG-48

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