Six-coordinate mononuclear dysprosium(iii) single-molecule magnets with the triphenylphosphine oxide ligand

2020 ◽  
Vol 49 (15) ◽  
pp. 4694-4698
Author(s):  
Kuduva R. Vignesh ◽  
Dimitris I. Alexandropoulos ◽  
Haomiao Xie ◽  
Kim R. Dunbar
Keyword(s):  
Ab Initio ◽  
Single Molecule ◽  
Energy Barrier ◽  
Triphenylphosphine Oxide ◽  
Single Molecule Magnets ◽  
Analogous Complex ◽  
Halide Ligands

Three rare octahedral mononuclear DyIII complexes bearing triphenylphosphine oxide and halide ligands are reported. The Cl− and Br− analogues exhibit SMM behavior under a small dc field. Ab initio CASSCF calculations reveal a higher energy barrier for an analogous complex with iodides.

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.

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...

Structural anisotropy of cyanido-bridged {CoII9WV6} single-molecule magnets induced by bidentate ligands: towards the rational enhancement of an energy barrier

2016 ◽  
Vol 52 (26) ◽  
pp. 4772-4775 ◽  
Author(s):  
Szymon Chorazy ◽  
Michał Rams ◽  
Anna Hoczek ◽  
Bernard Czarnecki ◽  
Barbara Sieklucka ◽  
...  
Keyword(s):  
Single Molecule ◽  
Energy Barrier ◽  
Magnetic Relaxation ◽  
Bidentate Ligands ◽  
Single Molecule Magnets ◽  
Structural Anisotropy ◽  
Slow Magnetic Relaxation

{CoII9[WV(CN)8]6} clusters capped by odd and even number of bidentate ligands reveal the improved slow magnetic relaxation due to the significant structural anisotropy.

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].

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

Magneto-Structural Correlations in a Series of Pseudotetrahedral [CoII(XR)4]2– Single Molecule Magnets: An ab Initio Ligand Field Study

2015 ◽  
Vol 54 (20) ◽  
pp. 9948-9961 ◽  
Author(s):  
Elizaveta A. Suturina ◽  
Dimitrios Maganas ◽  
Eckhard Bill ◽  
Mihail Atanasov ◽  
Frank Neese
Keyword(s):  
Ab Initio ◽  
Field Study ◽  
Single Molecule ◽  
Ligand Field ◽  
Single Molecule Magnets

scholarly journals A supramolecular chain of dimeric Dy single molecule magnets decorated with azobenzene ligands

2019 ◽  
Vol 48 (42) ◽  
pp. 16053-16061 ◽  
Author(s):  
Gang Huang ◽  
Xiaohui Yi ◽  
Frederic Gendron ◽  
Boris Le Guennic ◽  
Thierry Guizouarn ◽  
...  
Keyword(s):  
Optical Properties ◽  
Ab Initio ◽  
Single Molecule ◽  
Single Molecule Magnets ◽  
Supramolecular Chain

DyIII dimers decorated with photo-isomerizable azobenzene ligands behave as single-molecule magnets and self-organize into a supramolecular chain. Ab initio calculations, magnetic and optical properties are reported.

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