Exchange interaction between<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>J</mml:mi></mml:math>multiplets

Iwahara, Naoya; Chibotaru, Liviu F.

doi:10.1103/physrevb.91.174438

Cited by 67 publications

(73 citation statements)

References 41 publications

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“…The excited states defined by exchange coupling within these molecules will certainly mix with crystal field-split M J states to generate a perturbed excited state spectrum, and a more accurate assessment of the electronic structure would therefore entail utilizing multiple exchange parameters 36, 40 . However, this simple model seems to have surprising utility for predicting excited state energies, and thereby magnetic relaxation barriers for lanthanide–radical molecules.…”

Section: Resultsmentioning

confidence: 99%

Giant coercivity and high magnetic blocking temperatures for N2 3− radical-bridged dilanthanide complexes upon ligand dissociation

et al. 2017

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Increasing the operating temperatures of single-molecule magnets—molecules that can retain magnetic polarization in the absence of an applied field—has potential implications toward information storage and computing, and may also inform the development of new bulk magnets. Progress toward these goals relies upon the development of synthetic chemistry enabling enhancement of the thermal barrier to reversal of the magnetic moment, while suppressing alternative relaxation processes. Herein, we show that pairing the axial magnetic anisotropy enforced by tetramethylcyclopentadienyl (CpMe4H) capping ligands with strong magnetic exchange coupling provided by an N2 3− radical bridging ligand results in a series of dilanthanide complexes exhibiting exceptionally large magnetic hysteresis loops that persist to high temperatures. Significantly, reducing the coordination number of the metal centers appears to increase axial magnetic anisotropy, giving rise to larger magnetic relaxation barriers and 100-s magnetic blocking temperatures of up to 20 K, as observed for the complex [K(crypt-222)][(CpMe4H 2Tb)2(μ−)].

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Section: Resultsmentioning

confidence: 99%

Giant coercivity and high magnetic blocking temperatures for N2 3− radical-bridged dilanthanide complexes upon ligand dissociation

et al. 2017

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“…The theory of exchange interactions between orbitally degenerate ions is not trivial666768. One approach, developed to treat interactions between octahedral Co II ( 4 T) ions, is the Lines model66.…”

Section: Discussionmentioning

confidence: 99%

Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes

et al. 2016

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Determining the electronic structure of actinide complexes is intrinsically challenging because inter-electronic repulsion, crystal field, and spin–orbit coupling effects can be of similar magnitude. Moreover, such efforts have been hampered by the lack of structurally analogous families of complexes to study. Here we report an improved method to U≡N triple bonds, and assemble a family of uranium(V) nitrides. Along with an isoelectronic oxo, we quantify the electronic structure of this 5f1 family by magnetometry, optical and electron paramagnetic resonance (EPR) spectroscopies and modelling. Thus, we define the relative importance of the spin–orbit and crystal field interactions, and explain the experimentally observed different ground states. We find optical absorption linewidths give a potential tool to identify spin–orbit coupled states, and show measurement of UV···UV super-exchange coupling in dimers by EPR. We show that observed slow magnetic relaxation occurs via two-phonon processes, with no obvious correlation to the crystal field.

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“…Clearly the calculation of exchange couplings considering spin-orbit coupling is problematic for ions like Tb III , even qualitatively. 29 To gain better insight into the magnetic structure of the lanthanide ion in 3, State Average CASSCF/RASSI-SO computations that include spin-orbit effects were performed. Indeed, although Tb III is a non-Kramer's ion, the ground spin-orbit state and first excited state are quasi-degenerate (see the ESI Table S4 †) with an energy gap around 0.3 cm −1 and a similar composition in terms of spin-free functions.…”

Section: Dalton Transactions Papermentioning

confidence: 99%

First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties

et al. 2016

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aThe synthesis, crystal structures and magnetic properties of two families of heterospin complexes containing lanthanide ions and a bis(imino nitroxide) biradical 4',5', (5)) is coordinated to the biradical. Ferromagnetic intramolecular magnetic interactions between Gd III and the biradical were found for 1 and 4, while intramolecular magnetic interactions between the radicals were ferro-and antiferromagnetic, respectively. Compound 2 shows a field induced slow relaxation of magnetization, which (under an external applied field of 2 kOe) exhibits an activation energy barrier of ΔE/k B = 27 K and a pre-exponential factor of 1.4 × 10 −8 s. To support the magnetic characterization of compound 3 ab initio calculations were also performed.

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Exchange interaction betweenJmultiplets

Cited by 67 publications

References 41 publications

Giant coercivity and high magnetic blocking temperatures for N2 3− radical-bridged dilanthanide complexes upon ligand dissociation

Giant coercivity and high magnetic blocking temperatures for N2 3− radical-bridged dilanthanide complexes upon ligand dissociation

Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes

First coordination compounds based on a bis(imino nitroxide) biradical and 4f metal ions: synthesis, crystal structures and magnetic properties

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