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Updated: Dec 17, 2025
Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes
Mohamed R Saber1, Mukesh K Singh2, Kim R Dunbar2
1Department of Chemistry, Texas A&M University, College Station, TX 77842-3012, USA. dunbar@mail.chem.tamu.edu and Chemistry Department, Faculty of Science, Fayoum University, Fayoum 63514, Egypt.
Abstract:
The geometry of cobalt(ii) ions in the axially distorted octahedral cation in [Co(MeCN)6](BF4)2 (1) was compared to the trigonal prismatic cation in [CoTppy]PF6 (2) which revealed significant differences in magnetic anisotropy. Combined experimental and ab initio CASSCF/NEVPT2 calculations support the observed zero field SMM behaviour for 2, with easy axis anisotropy, attributed to the rigidity of the trigonal prismatic ligand. Strong transverse anisotropy for 1 leads to significant quantum tunnelling processes.
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