Influence of the supramolecular architecture on the magnetic properties of a DyIII single-molecule magnet: an ab initio investigation

Single-crystal angular-resolved magnetometry and wavefunction-based calculations have been used to reconsider the magnetic properties of a recently reported DyIII-based single-molecule magnet, namely [Dy(hfac)3(L1)] with hfac− = 1,1,1,5,5,5-hexafluoroacetylacetonate and L1 = 2-(4,5-bis(propylthio)-1,3-dithiol-2-ylidene)-6-(pyridin-2-yl)-5H-[1,3]dithiolo[4',5':4,5]benzo[1,2-d]imidazole. The magnetic susceptibility and magnetization at low temperature are found to be strongly influenced by supramolecular interactions. Moreover, taking into account the hydrogen-bond networks in the calculations allows to explain the orientation of the magnetic axes. This strongly suggests that hydrogen bonds play an important role in the modulation of the electrostatic environment around the DyIII center that governs the nature of its magnetic ground-state and the orientation of its anisotropy axes. We thus show here that SMM properties that rely on supramolecular organization may not be transferable into single-molecule devices.

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

Dalton Transactions ◽

10.1039/c6dt01763k ◽

2016 ◽

Vol 45 (42) ◽

pp. 16556-16560 ◽

Cited By ~ 16

Author(s):

Richard Grindell ◽

Veacheslav Vieru ◽

Thomas Pugh ◽

Liviu F. Chibotaru ◽

Richard A. Layfield

Keyword(s):

Single Molecule ◽

Ground State ◽

Relaxation Processes ◽

Magnetic Frustration ◽

Magnetic Ground State ◽

Single Molecule Magnet ◽

Dysprosium Complex

The hexaazatrinaphthylene-bridged tri-dysprosium complex [{(thd)3Dy}3HAN] is an SMM that shows two relaxation processes and a frustrated magnetic ground state.

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A Dy(III) Fluorescent Single-Molecule Magnet Based on a Rhodamine 6G Ligand

Inorganics ◽

10.3390/inorganics9070051 ◽

2021 ◽

Vol 9 (7) ◽

pp. 51

Author(s):

Lin Miao ◽

Mei-Jiao Liu ◽

Man-Man Ding ◽

Yi-Quan Zhang ◽

Hui-Zhong Kou

Keyword(s):

Magnetic Properties ◽

Single Molecule ◽

Magnetic Relaxation ◽

Rhodamine 6G ◽

Bond Angle ◽

Magnetic Measurements ◽

Single Molecule Magnet ◽

Lanthanide Metals ◽

Process Studies ◽

Dual Functions

The complexes of lanthanide metals, especially dysprosium, can generally exhibit excellent magnetic properties. By means of modifying ligands, dual functions or even multi-functions can be achieved. Here, we synthesized an eight-coordinate Dy(III) complex 1, [Dy(HL-o)2(MeOH)2](ClO4)3·4.5MeOH, which is single-molecule magnet (SMM), and the introduction of the rhodamine 6G chromophore in the ring-opened ligand HL-o realizes ligand-centered fluorescence in addition to SMM. Magnetic measurements and ab initio calculations indicate that the magnetic relaxation for complex 1 should be due to the Raman relaxation process. Studies on magneto-structural correlationship of the rhodamine salicylaldehyde hydrazone Dy(III) complexes show that the calculated energy of the first Kramers Doublet (EKD1) is basically related to the Ophenoxy-Dy-Ophenoxy bond angle, i.e., the larger Ophenoxy-Dy-Ophenoxy bond angle corresponds to a larger EKD1.

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Multifunctional properties of {CuII2LnIII2} systems involving nitrogen-rich nitronyl nitroxide: single-molecule magnet behavior, luminescence, magnetocaloric effects and heat capacity

Dalton Transactions ◽

10.1039/d0dt04344c ◽

2021 ◽

Author(s):

Hongdao Li ◽

Pei Jing ◽

Jiao Lu ◽

Lu Xi ◽

Qi Wang ◽

...

Keyword(s):

Heat Capacity ◽

Magnetic Properties ◽

Single Molecule ◽

Nitroxide Radical ◽

Nitronyl Nitroxide ◽

Nitronyl Nitroxide Radical ◽

Single Molecule Magnet ◽

Luminescence Behavior ◽

Multifunctional Properties

A family of 3d–4f heterometallic ring-shaped clusters on the basis of a nitrogen-rich nitronyl nitroxide radical have been obtained, and they feature polyfunctionality including magnetic properties, thermodynamics and luminescence behavior.

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Synthesis, structure and magnetic properties of a decametallic Ni single-molecule magnet

Chemical Communications ◽

10.1039/b510097f ◽

2005 ◽

pp. 5038 ◽

Cited By ~ 64

Author(s):

Guillem Aromí ◽

Simon Parsons ◽

Wolfgang Wernsdorfer ◽

Euan K. Brechin ◽

Eric J. L. McInnes

Keyword(s):

Magnetic Properties ◽

Single Molecule ◽

Single Molecule Magnet

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Structures, fluorescence properties and magnetic properties of a series of dinuclear lanthanide(III) compounds: Dy2 compound showing single-molecule magnet behavior

Polyhedron ◽

10.1016/j.poly.2017.12.010 ◽

2018 ◽

Vol 141 ◽

pp. 304-308 ◽

Cited By ~ 14

Author(s):

Wen-Min Wang ◽

Xiao-Hong Shi ◽

Hai-Xia Zhang ◽

Meng-Meng Wu ◽

Yan-Li He ◽

...

Keyword(s):

Magnetic Properties ◽

Single Molecule ◽

Fluorescence Properties ◽

Single Molecule Magnet

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Magnetic properties of Mn12 single-molecule magnet with thiophenecarboxylate bridges

10.1007/978-3-662-62478-4_236 ◽

2021 ◽

pp. 601-602

Author(s):

R. T. Pardasani ◽

P. Pardasani

Keyword(s):

Magnetic Properties ◽

Single Molecule ◽

Single Molecule Magnet

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Structures, fluorescence properties and magnetic properties of a series of rhombus-shaped LnIII4 clusters: magnetocaloric effect and single-molecule-magnet behavior

New Journal of Chemistry ◽

10.1039/c9nj02872b ◽

2019 ◽

Vol 43 (33) ◽

pp. 12941-12949 ◽

Cited By ~ 19

Author(s):

Wen-Min Wang ◽

Li Zhang ◽

Xian-Zhen Li ◽

Li-Yuan He ◽

Xin-Xin Wang ◽

...

Keyword(s):

Magnetic Properties ◽

Magnetocaloric Effect ◽

Single Molecule ◽

Magnetic Relaxation ◽

Magnetic Refrigeration ◽

Fluorescence Properties ◽

Relaxation Processes ◽

Magnetic Studies ◽

Single Molecule Magnet ◽

Slow Magnetic Relaxation

A family LnIII4 clusters were successfully synthesized and structurally characterized. Magnetic studies show that Gd4 cluster displays magnetic refrigeration, while Dy4 cluster demonstrates two distinct slow magnetic relaxation processes.

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