Geometrical control of the magnetic anisotropy in six coordinate cobalt complexes. Academic Article uri icon

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.

published proceedings

  • Chem Commun (Camb)

altmetric score

  • 1.75

author list (cited authors)

  • Saber, M. R., Singh, M. K., & Dunbar, K. R.

citation count

  • 7

complete list of authors

  • Saber, Mohamed R||Singh, Mukesh K||Dunbar, Kim R

publication date

  • July 2020