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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
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Magneto-structural correlation of hexakis-dmso cobalt(ii) complex.
Hiroshi Sakiyama1, Reiji Sudo, Takaaki Abiko
1Department of Science, Faculty of Science, Yamagata University, 1-4-12 Kojirakawa, Yamagata 990-8560, Japan. saki@sci.kj.yamagata-u.ac.jp.
Dalton Transactions (Cambridge, England : 2003)
|November 16, 2017
Summary
The magnetostructural correlation in a cobalt(ii) complex was studied. Tetragonal elongation of the octahedral geometry explains the negative magnetic anisotropy value, confirmed by computational methods.
Area of Science:
- Inorganic Chemistry
- Solid-State Chemistry
- Magnetism
Background:
- Hexakis-dimethylsulfoxide cobalt(ii) complex, [Co(dmso)6](BPh4)2, exhibits interesting magnetic properties.
- Understanding magnetostructural correlations is key to designing new magnetic materials.
Purpose of the Study:
- To investigate the magnetostructural correlation in [Co(dmso)6](BPh4)2.
- To explain the observed magnetic anisotropy through structural features.
Main Methods:
- Single-crystal X-ray diffraction to determine the precise molecular structure.
- Magnetic measurements to probe the magnetic behavior.
- Angular overlap model (AOM) and density functional theory (DFT) calculations for theoretical validation.
Main Results:
- The study revealed a negative magnetic anisotropy (Δ value).
- This negative anisotropy was attributed to the tetragonal elongation of the octahedral coordination geometry around the cobalt(ii) ion.
- Both AOM and DFT calculations supported the observed magnetostructural correlation.
Conclusions:
- The magnetostructural correlation in [Co(dmso)6](BPh4)2 is clearly established.
- Tetragonal elongation is the primary structural factor influencing the magnetic anisotropy in this complex.
- Computational methods effectively complement experimental findings in elucidating such correlations.
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