scholarly journals Slow Relaxation of the Magnetization in Bis-Decorated Chiral Helicene-Based Coordination Complexes of Lanthanides

2018 ◽  
Vol 4 (3) ◽  
pp. 39 ◽  
Author(s):  
Jessica Flores Gonzalez ◽  
Vincent Montigaud ◽  
Nidal Saleh ◽  
Olivier Cador ◽  
Jeanne Crassous ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Single Molecule ◽  
Crystalline Phase ◽  
Coordination Complexes ◽  
Slow Relaxation ◽  
Single Molecule Magnets ◽  
Racemic Form

The complexes [Ln2(hfac)6(L)]·nC6H14 (Ln = Dy (1) n = 0, Yb (2) n = 1) with the L chiral 3,14-di-(2-pyridyl)-4,13-diaza[6]helicene ligand (hfac− = 1,1,1,5,5,5-hexafluoroacetylacetonate) have been synthesized in their racemic form and structurally and magnetically characterized. Both complexes behave as field-induced single molecule magnets in the crystalline phase. These magnetic properties were rationalized by ab initio calculations.

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

Single molecule magnets grafted on gold: magnetic properties from ab initio molecular dynamics

2015 ◽  
Vol 3 (28) ◽  
pp. 7294-7304 ◽  
Author(s):  
Alessandro Lunghi ◽  
Marcella Iannuzzi ◽  
Roberta Sessoli ◽  
Federico Totti
Keyword(s):  
Molecular Dynamics ◽  
Magnetic Properties ◽  
Ab Initio ◽  
Single Molecule ◽  
Adsorption Process ◽  
Magnetic Behavior ◽  
Ab Initio Molecular Dynamics ◽  
Single Molecule Magnets

The adsorption process on gold and its consequences on the magnetic behavior of an {Fe4} SMM have been highlighted through AIMD.

scholarly journals Slow Relaxation of the Magnetization in Anilato-Based Dy(III) 2D Lattices

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1190
Author(s):  
Samia Benmansour ◽  
Antonio Hernández-Paredes ◽  
María Bayona-Andrés ◽  
Carlos J. Gómez-García
Keyword(s):  
Magnetic Properties ◽  
Single Molecule ◽  
Related Compound ◽  
Interlayer Space ◽  
Magnetic Measurements ◽  
Three Dimensional ◽  
Slow Relaxation ◽  
Two Dimensional ◽  
Single Molecule Magnets ◽  
Solvent Molecules

The search for two- and three-dimensional materials with slow relaxation of the magnetization (single-ion magnets, SIM and single-molecule magnets, SMM) has become a very active area in recent years. Here we show how it is possible to prepare two-dimensional SIMs by combining Dy(III) with two different anilato-type ligands (dianions of the 3,6-disubstituted-2,5-dihydroxy-1,4-benzoquinone: C6O4X22−, with X = H and Cl) in dimethyl sulfoxide (dmso). The two compounds prepared, formulated as: [Dy2(C6O4H2)3(dmso)2(H2O)2]·2dmso·18H2O (1) and [Dy2(C6O4Cl2)3(dmso)4]·2dmso·2H2O (2) show distorted hexagonal honeycomb layers with the solvent molecules (dmso and H2O) located in the interlayer space and in the hexagonal channels that run perpendicular to the layers. The magnetic measurements of compounds 1, 2 and [Dy2(C6O4(CN)Cl)3(dmso)6] (3), a recently reported related compound, show that the three compounds present slow relaxation of the magnetization. In compound 1 the SIM behaviour does not need the application of a DC field whereas 2 and 3 are field-induced SIM (FI-SIM) since they show slow relaxation of the magnetization when a DC field is applied. We discuss the differences observed in the crystal structures and magnetic properties based on the X group of the anilato ligands (H, Cl and Cl/CN) in 1–3 and in the recently reported derivative [Dy2(C6O4Br2)3(dmso)4]·2dmso·2H2O (4) with X = Br, that is also a FI-SIM.

scholarly journals Crystal Structure and Magnetic Properties of Peacock–Weakley Type Polyoxometalates Na9[Ln(W5O18)2] (Ln = Tm, Yb): Rare Example of Tm(III) SMM

2020 ◽  
Vol 6 (4) ◽  
pp. 53
Author(s):  
Oleksandra Yu. Mariichak ◽  
Sandra Kaabel ◽  
Yevgen A. Karpichev ◽  
Georgiy M. Rozantsev ◽  
Serhii V. Radio ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Nitric Acid ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Crystal Structures ◽  
Single Molecule ◽  
Relaxation Processes ◽  
Single Molecule Magnet ◽  
Physico Chemical

We report Peacock–Weakley complexes, Na9[Ln(W5O18)2]∙35H2O, formed with Tm(III), 1, and Yb(III), 2. Their syntheses, physico-chemical characterizations, crystal structures, and magnetic properties are described. Ab initio calculations are also reported. These polyoxometalate (POM) complexes were obtained using original synthetic conditions where acidification was performed with a stoichiometric amount of nitric acid to an acidity of Z = ν(H+)/ν(WO42–) = 8/10 = 0.80. Both the Tm(III) and Yb(III) derivatives were found to exhibit field-induced slow relaxation of their magnetization likely controlled by Raman and Orbach relaxation processes. 1 is a rare example of a Tm(III)-based single-molecule magnet (SMM) and is a consequence of the oblate tetragonal anti-prismatic symmetry of the coordination sphere.

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.

scholarly journals High-Coordinate Mononuclear Ln(III) Complexes: Synthetic Strategies and Magnetic Properties

2020 ◽  
Vol 7 (1) ◽  
pp. 1
Author(s):  
Joydev Acharya ◽  
Pankaj Kalita ◽  
Vadapalli Chandrasekhar
Keyword(s):  
Magnetic Properties ◽  
Single Molecule ◽  
Fine Tuning ◽  
Coordination Geometry ◽  
Single Molecule Magnets ◽  
Magnetization Relaxation ◽  
Quantum Tunneling Of Magnetization ◽  
Structural Correlation ◽  
High Coordination Number ◽  
High Coordination

Single-molecule magnets involving monometallic 4f complexes have been investigated extensively in last two decades to understand the factors that govern the slow magnetization relaxation behavior in these complexes and to establish a magneto-structural correlation. The prime goal in this direction is to suppress the temperature independent quantum tunneling of magnetization (QTM) effect via fine-tuning the coordination geometry/microenvironment. Among the various coordination geometries that have been pursued, complexes containing high coordination number around Ln(III) are sparse. Herein, we present a summary of the various synthetic strategies that were used for the assembly of 10- and 12-coordinated Ln(III) complexes. The magnetic properties of such complexes are also described.

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...

Effects of Pressure on Two-Dimensional Networked Single-Molecule Magnets Exhibiting AC-Field-Switchable Magnetic Properties

2012 ◽  
Vol 81 (6) ◽  
pp. 064716 ◽  
Author(s):  
Masaki Mito ◽  
Masashi Ogawa ◽  
Hiroyuki Deguchi ◽  
Masahiro Yamashita ◽  
Hitoshi Miyasaka
Keyword(s):  
Magnetic Properties ◽  
Single Molecule ◽  
Two Dimensional ◽  
Single Molecule Magnets ◽  
Ac Field
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