Understanding the effect of structural changes on slow magnetic relaxation in mononuclear octahedral copper(ii) complexes

Abstract

Unique organic scaffold to study how subtle structural differences affect the slow magnetic relaxation in S = ½ Cu(ii) systems.

Occurrence of slow relaxation of the magnetization in a family of copper(ii)/manganese(ii) quasi-isotropic complexes with different ground spin states

“…† In light of these data, ac susceptibility measurements in the 1-1488 frequency range were performed under the fields that yielded the maximum χ″ m response. Well-defined slow relaxation of the magnetization has recently been characterized for some mononuclear Cu II complexes in a variety of coordination environments [39][40][41][42] and thus, to discard the possibility that the origin of the out of phase response could be attributed to the [CuL] or [CuNaL] non-interacting fragments, ac experiments were also performed for the equivalent complex 1. The absence of out-ofphase signals under a field up to 1 T confirms that the ac response in complexes 3 and 5 is only due to the interacting Cu II /Mn II system.…”

Field-assisted slow relaxation of magnetization in Cu(ii) complexes with pentaheterocyclic triphenodioxazine ligands: the quasi-one-dimensional versus the binuclear case

“…The obtained components of the g -tensor are in good agreement with those previously reported for isomorphic quasi-one-dimensional complex 24 and correspond to the easy-axis type magnetic anisotropy as for all known Cu( ii ) complexes exhibiting field-induced slow magnetic relaxation. 13,22–29…”

“…Interestingly, the slow magnetic relaxation is also observed for Cu( ii )-complexes, 13,22–29 in which the ground state does not carry any unquenched orbital momentum and thus the spin–orbit coupling acts as a second order effect. Unlike all other 3d metal complexes with S = 1/2, which exhibit slow magnetic relaxation, the Cu( ii )-based complexes are characterized by high stability due to quite standard coordination (square-planar, square-pyramidal, or square-bipyramidal) of the Cu( ii ) ions.…”

DFT computations combined with semiempirical modeling of variations with temperature of spectroscopic and magnetic properties of Gd3+-doped PbTiO3

“…Additional motivation for this study stems from our current investigations aimed at rational design of molecular nanomagnets based on RE and TM ions and computational modeling of their properties. 22,23 Molecular nanomagnets comprise the single-molecule magnets (SMM), single-ion magnets (SIM), and single-chain magnets (SCM). 24–27 These systems have been extensively studied due to, among others, the phenomenon of macroscopic quantum tunneling of magnetization as well as possible applications in high-density information storage and quantum computing.…”

“…Importantly, the sets of model parameters determined in the present SPM analysis for Gd 3+ in PbTiO 3 may be utilized for ZFSP calculations for these ions at similar sites in ABO 3 perovskites as well as SMM, SIM or SCM systems. As a follow-up to the studies, 22,23 complexes based on two exchange coupled Gd 3+ ions surrounded by various ligands have recently been synthesized in our research group at the AMU as potential SMM. 33 The study 33 tests the suitability of combining experimental EMR data and predictions based on crystal field (CF) theory as well as modelling of ZFSPs using and SPM analysis and DFT methods, and thus prepares grounds for consideration of the spectroscopic and magnetic properties of such systems.…”