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

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.

authors

• Dunbar, Kim

published proceedings

• Chem Commun (Camb)

altmetric score

• 1.75

author list (cited authors)

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

citation count

• 11

complete list of authors

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

publication date

• July 2020

publisher

• Royal Society of Chemistry (RSC)  Publisher

published in

• Chemical Communications  Journal

keywords

• 0299 Other Physical Sciences

PubMed Central ID

• 32588842

Digital Object Identifier (DOI)

• 10.1039/d0cc03238g

start page

• 8492

end page

• 8495

volume

• 56

issue

• 60