Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes.

Mamon DeyPrashurya Pritam MudoiAnup ChoudhuryBipul Sarma Nayanmoni Gogoi

Published in: Chemical communications (Cambridge, England) (2019)

The effect of subtle structural distortions on single ion magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes was probed by magnetization measurements and theoretical calculations. Reducing structural distortion on the equatorial pentagonal plane and employing strong field ligands on axial coordination sites dramatically enhance the uniaxial magnetic anisotropy in pentagonal bipyramidal Ni(ii) complexes.

Keyphrases

molecularly imprinted
molecular dynamics simulations
metal organic framework
transition metal
molecular dynamics
density functional theory