Analysis of the electrostatics in DyIII single-molecule magnets: the case study of Dy(Murex)3

2015 ◽  
Vol 44 (41) ◽  
pp. 18270-18275 ◽  
Author(s):  
J. Jung ◽  
X. Yi ◽  
G. Huang ◽  
G. Calvez ◽  
C. Daiguebonne ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Site Symmetry ◽  
Molecular Symmetry ◽  
Predominant Role ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet

A DyIII-based single-molecule magnet is reported. Ab initio calculations highlight that molecular symmetry plays a predominant role over site symmetry in determining the shape and orientation of DyIII magnetic anisotropy.

Magnetic anisotropy on demand exploiting high-pressure as remote control: an ab initio proof-of-concept

2021 ◽  
Author(s):  
Matteo Briganti ◽  
Federico Totti
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Remote Control ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Boiling Temperature ◽  
Proof Of Concept ◽  
Single Molecule Magnets ◽  
On Demand

Lanthanide based single molecule magnets have recently become very promising systems for creating single molecule device working at high temperature (nitrogen boiling temperature). However, the variation of direction of the...

scholarly journals Covalency and magnetic anisotropy in lanthanide single molecule magnets: the DyDOTA archetype

2019 ◽  
Vol 10 (30) ◽  
pp. 7233-7245 ◽  
Author(s):  
Matteo Briganti ◽  
Guglielmo Fernandez Garcia ◽  
Julie Jung ◽  
Roberta Sessoli ◽  
Boris Le Guennic ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Easy Axis ◽  
Single Molecule Magnets ◽  
Covalent Contribution

The unexpected covalent contribution in the DOTADy-OH2 bond revealed by ab initio calculations of the easy axis of magnetization through simple H2O rotations.

Correlating Blocking Temperatures in Single Molecule Magnets with Raman Relaxation

2018 ◽  
Author(s):  
Marcus J. Giansiracusa ◽  
Andreas Kostopoulos ◽  
George F. S. Whitehead ◽  
David Collison ◽  
Floriana Tuna ◽  
...  
Keyword(s):  
Relaxation Time ◽  
Single Molecule ◽  
Energy Barrier ◽  
Thermal Relaxation ◽  
Relaxation Mechanism ◽  
Blocking Temperature ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet ◽  
Key Parameter

We report a six coordinate DyIII single-molecule magnet<br>(SMM) with an energy barrier of 1110 K for thermal relaxation of<br>magnetization. The sample shows no retention of magnetization<br>even at 2 K and this led us to find a good correlation between the<br>blocking temperature and the Raman relaxation regime for SMMs.<br>The key parameter is the relaxation time (𝜏<sub>switch</sub>) at the point where<br>the Raman relaxation mechanism becomes more important than<br>Orbach.

Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands

2021 ◽  
Vol 50 (6) ◽  
pp. 2102-2111
Author(s):  
Jing Xi ◽  
Xiufang Ma ◽  
Peipei Cen ◽  
Yuewei Wu ◽  
Yi-Quan Zhang ◽  
...  
Keyword(s):  
Ab Initio ◽  
Single Molecule ◽  
Substitution Effect ◽  
Single Molecule Magnets ◽  
Magnetic Dynamics ◽  
Magnetic Investigation

Substituent change modulates the coordination symmetries and magnetic dynamics of five mononuclear β-diketonate-Dy(iii) complexes with capping N-donor coligands, which is studied by the combination of magnetic investigation and ab initio calculation.

Recent advances in lanthanide coordination polymers and clusters with magnetocaloric effect or single-molecule magnet behavior

2021 ◽  
Author(s):  
Jun-Jie Hu ◽  
Yan Peng ◽  
Sui-Jun Liu ◽  
He-Rui Wen
Keyword(s):  
Quantum Computing ◽  
Low Temperature ◽  
Magnetocaloric Effect ◽  
Coordination Polymers ◽  
Single Molecule ◽  
Information Storage ◽  
Lanthanide Ions ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet ◽  
Lanthanide Coordination Polymers

The molecular magnetorefrigerant materials for low-temperature magnetic refrigeration and single-molecule magnets for high-density information storage and quantum computing have received extensive attention from chemists and magnetic experts. Lanthanide ions with...

Polyoxometalate-Supported Lanthanoid Single-Molecule Magnets

2014 ◽  
Vol 67 (11) ◽  
pp. 1542 ◽  
Author(s):  
Michele Vonci ◽  
Colette Boskovic
Keyword(s):  
Single Molecule ◽  
Energy Barrier ◽  
Magnetic Relaxation ◽  
Donor Ligands ◽  
Single Molecule Magnets ◽  
Single Molecule Magnet ◽  
Coordination Numbers ◽  
Oxygen Donor ◽  
Slow Magnetic Relaxation

Polyoxometalates are robust and versatile multidentate oxygen-donor ligands, eminently suitable for coordination to trivalent lanthanoid ions. To date, 10 very different structural families of such complexes have been found to exhibit slow magnetic relaxation due to single-molecule magnet (SMM) behaviour associated with the lanthanoid ions. These families encompass complexes with between one and four of the later lanthanoid ions: Tb, Dy, Ho, Er, and Yb. The lanthanoid coordination numbers vary between six and eleven and a range of coordination geometries are evident. The highest energy barrier to magnetisation reversal measured to date for a lanthanoid–polyoxometalate SMM is Ueff/kB = 73 K for the heterodinuclear Dy–Eu compound (Bu4N)8H4[DyEu(OH)2(γ-SiW10O36)2].

Wheel-type heterometallic ferromagnetic clusters: [Ni7−xMx(HL)6(μ3-OMe)4(μ3-OH)2]Cl2 (M = Zn, Co, Mn; x = 1, 3)

2018 ◽  
Vol 47 (46) ◽  
pp. 16422-16428 ◽  
Author(s):  
Fumiya Kobayashi ◽  
Ryo Ohtani ◽  
Sotaro Kusumoto ◽  
Leonard F. Lindoy ◽  
Shinya Hayami ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Single Molecule ◽  
Metal Ion ◽  
Heterometallic Clusters ◽  
Single Molecule Magnet ◽  
Ferromagnetic Properties ◽  
Behavior Based

Wheel-type heptanuclear heterometallic clusters display metal ion dependent ferromagnetic properties and express single molecule magnet behavior based on the magnetic anisotropy.

Enhanced energy barriers triggered by magnetic anisotropy modulation via tuning the functional groups on the bridging ligands in Dy2 single-molecule magnets

2018 ◽  
Vol 47 (42) ◽  
pp. 15197-15205 ◽  
Author(s):  
Yaru Qin ◽  
Yu Jing ◽  
Yu Ge ◽  
Wei Liu ◽  
Yahong Li ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Functional Groups ◽  
Single Molecule ◽  
Energy Barrier ◽  
Energy Barriers ◽  
Single Molecule Magnets ◽  
Bridging Ligands

Two dinuclear dysprosium complexes of 1 and 2 have been synthesized and both of them exhibit SMM behavior. The energy barrier is enhanced ca. 35 K by elaborately tuning the backbones of the ligands.

scholarly journals Multireference Ab Initio Studies of Magnetic Properties of Terbium-Based Single-Molecule Magnets

2019 ◽  
Vol 123 (32) ◽  
pp. 6996-7006 ◽  
Author(s):  
Ryan Pederson ◽  
Aleksander L. Wysocki ◽  
Nicholas Mayhall ◽  
Kyungwha Park
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Single Molecule ◽  
Single Molecule Magnets
Sign in / Sign up

Export Citation Format

Share Document