Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet

Grindell, Richard; Vieru, Veacheslav; Pugh, Thomas; Chibotaru, Liviu F.; Layfield, Richard A.

doi:10.1039/c6dt01763k

Cited by 33 publications

(20 citation statements)

References 31 publications

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“…[218] Local g-tensorsm ay also departf rom the triangle plane by varying degrees,l eading to situations approaching frustrated Ising systems. [219,220] In the extreme case, the Dy 3 SMM [Dy 3 (m 3 -CO 3 )( Cl bbpen) 3 ](CF 3 SO 3 )•6MeCN (H 2…”

Section: The Next Generation:ising-spin Trianglesmentioning

confidence: 99%

“…Local g ‐tensors may also depart from the triangle plane by varying degrees, leading to situations approaching frustrated Ising systems [219, 220] . In the extreme case, the Dy 3 SMM [Dy 3 (μ 3 ‐CO 3 )( Cl bbpen) 3 ](CF 3 SO 3 ) ⋅ 6 MeCN (H 2 Cl bbpen= N , N′ ‐bis(5‐chloro‐2‐hydroxybenzyl)‐ N , N′ ‐bis(2‐picolyl)ethylenediamine), [221] the local magnetizations were practically perpendicular to the triangle plane, making this an almost ideal model of such a situation (Figure 13).…”

Section: New Tricksmentioning

confidence: 99%

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Half‐Integer Spin Triangles: Old Dogs, New Tricks

Boudalis

2021

Chemistry A European J

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Spin triangles, that is, triangularc omplexes of halfinteger spins,a re the oldest molecular nanomagnets (MNMs). Their magnetic properties have been studied long before molecular magnetism was delineated as ar esearch field. This Review presentst he history of their study,w ith references to the parallel developmento fn ew experimental investigations andn ew theoretical ideas used for their interpretation. It then presents an indicative list of spin-triangle familiest oi llustrate their chemical diversity.F inally,i tm akes reference to recent developments in terms of theoretical ideas and new phenomena, as well as to the relevance of spin triangles to spintronic devices and new physics.

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Section: The Next Generation:ising-spin Trianglesmentioning

confidence: 99%

Section: New Tricksmentioning

confidence: 99%

Half‐Integer Spin Triangles: Old Dogs, New Tricks

Boudalis

2021

Chemistry A European J

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“…Supposedly, that can be attributed to some degree of spin frustration present in 1 . This possibility exists due to the formation of equilateral Fe II triangles and it is characteristic of various transition metal complexes of HATNA [5–7] …”

Section: Resultsmentioning

confidence: 99%

“…As a result, their coordination complexes can exhibit spin frustration. For example, spin frustration has been observed for the coordination complex of neutral HATNA with three Tb III (TMHD) 3 or Dy III (TMHD) 3 units (where TMHD is 2,2,6,6,‐tetramethylheptane‐3,5‐dione) [6] or in the complex of the HATNA .3− radical trianion with three lanthanide(III) bis(pentamethylcyclopentadienyl) units (lanthanide is Tb, Dy, or Gd) [7] . Among these, the complex of HATNA with dysprosium(III) shows the properties of a single‐molecule magnet with effective relaxation barrier of U eff =51 cm −1 [6,7] …”

Section: Introductionmentioning

confidence: 99%

Magnetic Exchange through the Dianionic Hexaazatrinaphthylene (HATNA) Ligand in {HATNA(Fe^IICl₂)₃}²⁻ Containing Fe^II (S=2) Triangles

et al. 2020

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Herein, a new method for the preparation of anionic hexaazatrinaphthylene (HATNA) coordination complexes was developed. The reduced HATNA coordinated three FeIICl2 units for the formation of (CV+)2{HATNA(FeIICl2)3}2− ⋅ 3.5 C6H4Cl2 (1) (CV+ is a cationic form of crystal violet). The FeII atoms had a high S=2 spin state and were arranged in nearly equilateral triangles at a distance of approximately 7 Å. The χMT value of 1 was 9.70 emu⋅K/mol at 300 K, exceeding the calculated spin‐only value of three independent high‐spin FeII centers (S=2) (9.00 emu⋅K/mol). A strong antiferromagnetic exchange was observed between FeII atoms through the diamagnetic HATNA units since Weiss temperature is −98 K. Magnetic behavior of 1 was modelled by PHI package obtaining the exchange interaction constant J=−4.6 cm−1 and zero‐field splitting parameter D=5.6 cm−1 at g=2.23. Arrangement of magnetic centers in the equilateral triangles supposes that some degree of spin frustration exists in 1. Crystal structures of two phases of pristine HATNA molecule are also reported.

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“…The trilanthanide oxide clusters we have studied have formed interesting symmetric structures that are similar to the highly symmetric trigonal SMM structure. Trinuclear triangular arrangement of lanthanoids in SMMs offers beautiful examples of spin frustration − and toroidal magnetic moments. − Will these properties introduce additional unusual interactions between the remnant neutral and a slow electron? Can we visualize these processes with time-dependent natural ionization orbital pictures?…”

Section: Future Directionsmentioning

confidence: 99%

Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters

2021

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Small lanthanide (Ln) oxide clusters present both experimental and theoretical challenges because of their partially filled, core-like 4f n orbitals, a feature that results in a plethora of close-lying and fundamentally similar electronic states. These clusters provide a bottom-up approach toward understanding the electronic structure of defective or doped bulk material but also can offer a challenge to the theorists to find a method robust enough to capture electronic structure patterns that emerge from within the 4f n (0 < n < 14) series. In this Feature Article, we explore the electronic structures of small lanthanide oxide clusters that deviate from bulk stoichiometry using anion photoelectron spectroscopy and supporting density functional theory calculations. We will describe the evolution of electronic structure with oxidation and how Ln x O y − cluster reactivities can be correlated with specific Ln-local orbital occupancies. These strongly correlated systems offer additional insights into how interactions between electrons and electronically complex neutrals can lead to detachment transitions that lie outside of the sudden one-electron detachment approximation generally assumed in anion photoelectron spectroscopy. With a better understanding of how we can control nominally forbidden transitions to sample an array of spin states, we suggest that more in-depth studies on the magnetic states of these systems can be explored. Extending these studies to other Ln-based materials with hidden magnetic phases, along with sequentially ligated single molecule magnets, could advance current understanding of these systems.

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Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet

Cited by 33 publications

References 31 publications

Half‐Integer Spin Triangles: Old Dogs, New Tricks

Half‐Integer Spin Triangles: Old Dogs, New Tricks

Magnetic Exchange through the Dianionic Hexaazatrinaphthylene (HATNA) Ligand in {HATNA(Fe^IICl₂)₃}²⁻ Containing Fe^II (S=2) Triangles

Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters

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Magnetic frustration in a hexaazatrinaphthylene-bridged trimetallic dysprosium single-molecule magnet

Cited by 33 publications

References 31 publications

Half‐Integer Spin Triangles: Old Dogs, New Tricks

Half‐Integer Spin Triangles: Old Dogs, New Tricks

Magnetic Exchange through the Dianionic Hexaazatrinaphthylene (HATNA) Ligand in {HATNA(FeIICl2)3}2− Containing FeII (S=2) Triangles

Lanthanide Oxides: From Diatomics to High-Spin, Strongly Correlated Homo- and Heterometallic Clusters

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Magnetic Exchange through the Dianionic Hexaazatrinaphthylene (HATNA) Ligand in {HATNA(Fe^IICl₂)₃}²⁻ Containing Fe^II (S=2) Triangles