Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes.
Chem Commun (Camb)
; 56(60): 8492-8495, 2020 Jul 28.
Article
en En
| MEDLINE
| ID: mdl-32588842
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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1
Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Chem Commun (Camb)
Asunto de la revista:
QUIMICA
Año:
2020
Tipo del documento:
Article
País de afiliación:
Egipto