Ligand effects toward the modulation of magnetic anisotropy and design of magnetic systems with desired anisotropy characteristics

The Journal of Physical Chemistry. a
Tamal Goswami, Anirban Misra

Abstract

Magnetic anisotropy of a set of octahedral Cr(III) complexes is studied theoretically. The magnetic anisotropy is quantified in terms of zero-field splitting (ZFS) parameter D, which appeared sensitive toward ligand substitution. The increased π-donation capacity of the ligand enhances the magnetic anisotropy of the complexes. The axial π-donor ligand of a complex is found to produce an easy-plane type (D > 0) magnetic anisotropy, while the replacement of the axial ligands with π-acceptors entails the inversion of magnetic anisotropy into the easy-axis type (D < 0). This observation enables one to fabricate a single molecule magnet for which easy-axis type magnetic anisotropy is an indispensable criterion. The equatorial ligands are also found to play a role in tuning the magnetic anisotropy. The magnetic anisotropy property is also correlated with the nonlinear optical (NLO) response. The value of the first hyperpolarizability varies proportionately with the magnitude of the ZFS parameter. Finally, it has also been shown that a rational design of simple octahedral complexes with desired anisotropy characteristics is possible through the proper ligand selection.

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Citations

Aug 27, 2014·Chemistry : a European Journal·Tamal Goswami, Anirban Misra
Nov 19, 2012·Inorganic Chemistry·Kim R Dunbar
Jan 17, 2014·The Journal of Physical Chemistry. a·Iulia Emilia BrumboiuBarbara Brena
Sep 4, 2014·Chemical Communications : Chem Comm·Mohamed R Saber, Kim R Dunbar
Feb 15, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Amit Kumar MondalSanjit Konar
Feb 23, 2021·The Journal of Physical Chemistry. a·Rishu KhuranaMd Ehesan Ali
Nov 10, 2020·Inorganic Chemistry·Suranjan Shil, Sabyasachi Sen

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