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Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes

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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.

Graphical abstract: Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes

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Article information


Submitted
06 May 2020
Accepted
17 Jun 2020
First published
18 Jun 2020

Chem. Commun., 2020, Advance Article
Article type
Communication

Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes

M. R. Saber, M. K. Singh and K. R. Dunbar, Chem. Commun., 2020, Advance Article , DOI: 10.1039/D0CC03238G

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