scholarly journals Exchange coupling and single molecule magnetism in redox-active tetraoxolene-bridged dilanthanide complexes

2018 ◽  
Vol 9 (5) ◽  
pp. 1221-1230 ◽  
Author(s):  
Peng Zhang ◽  
Mauro Perfetti ◽  
Michal Kern ◽  
Philipp P. Hallmen ◽  
Liviu Ungur ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Single Molecule ◽  
Epr Spectroscopy ◽  
Exchange Coupling ◽  
Redox Active

The magnetic properties of the title complexes were studied by EPR spectroscopy, magnetometry and 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

Magnetic and photo-physical investigations into DyIII and YbIII complexes involving tetrathiafulvalene ligand

2015 ◽  
Vol 2 (12) ◽  
pp. 1105-1117 ◽  
Author(s):  
K. Soussi ◽  
J. Jung ◽  
F. Pointillart ◽  
B. Le Guennic ◽  
B. Lefeuvre ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Single Molecule ◽  
Single Molecule Magnets ◽  
Redox Active

Three TTF-based complexes have been elaborated using β-diketonate DyIII and YbIII precursors. [Yb(tta)3(L)]·2CH2Cl2 enlarges the scarce series of redox-active luminescent single-molecule magnets with correlation between emissive and magnetic properties.

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.

AB-INITIO BAND STRUCTURE CALCULATION FOR MAGNETIC MULTILAYERS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 456-459 ◽  
Author(s):  
J. STICHT ◽  
F. HERMAN ◽  
J. KÜBLER
Keyword(s):  
Magnetic Properties ◽  
Band Structure ◽  
Total Energy ◽  
Ab Initio ◽  
Coupling Strength ◽  
First Principles ◽  
Exchange Coupling ◽  
Magnetic Multilayers ◽  
Structure Calculation ◽  
Band Structure Calculation

The magnetic properties of magnetic multilayers are studied using first principles total energy calculations. In this paper we present our results for bcc Fe multilayers with a (001) stacking direction. Using Nb as a spacer material we find an oscillating exchange coupling with a period of about 4.6 Å( ≈3 Nb monolayers). A detailed study of the magetic moments in the Nb spacer is given. Furthermore we discuss the dependence of the exchange coupling strength as a function of the thickness of the Fe slabs.

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.

Single-molecule magnet involving strong exchange coupling in terbium(iii) complex with 2,2′-bipyridin-6-yl tert-butyl nitroxide

2015 ◽  
Vol 2 (9) ◽  
pp. 860-866 ◽  
Author(s):  
Takuya Kanetomo ◽  
Shunsuke Yoshii ◽  
Hiroyuki Nojiri ◽  
Takayuki Ishida
Keyword(s):  
Magnetic Properties ◽  
Hysteresis Loop ◽  
Single Molecule ◽  
Exchange Coupling ◽  
Antiferromagnetic Interaction ◽  
Single Molecule Magnet ◽  
Tert Butyl ◽  
Strong Exchange

Intramolecular antiferromagnetic interaction in Tb-6bpyNO was confirmed by comparison with the magnetic properties of Tb-6bpyCO and Y-6bpyNO. Tb-6bpyNO showed a hysteresis loop below 1.6 K, but Tb-6bpyCO did not behave as a single-molecule magnet.

scholarly journals Bis(triphenylphosphine)iminium Salts of Dioxothiadiazole Radical Anions: Preparation, Crystal Structures, and Magnetic Properties

Crystals ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 30 ◽  
Author(s):  
Paweł Pakulski ◽  
Mirosław Arczyński ◽  
Dawid Pinkowicz
Keyword(s):  
Magnetic Properties ◽  
Crystal Structures ◽  
Magnetic Materials ◽  
Exchange Coupling ◽  
Crystal Packing ◽  
Stable Radical ◽  
Radical Anions ◽  
Iminium Salts ◽  
Redox Active ◽  
Derivatives Of

Phenanthroline dioxothiadiazoles are redox active molecules that form stable radical anions suitable for the construction of supramolecular magnetic materials. Herein, the preparation, structures and magnetic properties of bis(triphenylphosphine)iminium (PPN) salts of [1,2,5]thiadiazole[3,4-f][1,10]phenanthroline 1,1-dioxide (L), [1,2,5]thiadiazole[3,4-f][4,7]phenanthroline 1,1-dioxide (4,7-L), 5-bromo-[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide (BrL), and 5,10-dibromo-[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide (diBrL) are reported. The preparation of new bromo derivatives of the L: 5-bromo-[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide (BrL) and 5,10-dibromo-[1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline 2,2-dioxide (diBrL)—suitable starting materials for further derivatization—are described starting from a commercially available and cheap 1,10-phenanthroline. All PPN salts show antiferromagnetic interactions between the pairs of radical anions, which in the case of PPN(diBrL) are very strong (−116 cm−1; using Ĥ = −2JSS type of exchange coupling Hamiltonian) due to a different crystal packing of the anion radicals as compared to PPN(L), PPN(4,7-L), and PPN(BrL).

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.

Double and triple pyridine-N-oxide bridged dinuclear Dysprosium(III) dimers and single-molecule magnetic properties

2019 ◽  
Vol 1175 ◽  
pp. 686-697 ◽  
Author(s):  
Ling Zhang ◽  
Hua Ma ◽  
Zhi-Qiang Wang ◽  
Yong-Mei Tian ◽  
Yi-Quan Zhang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Single Molecule
Sign in / Sign up

Export Citation Format

Share Document