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

A ligand-field study of the ground spin-state magnetic anisotropy in a family of hexanuclear Mn(iii) single-molecule magnets

2008 ◽  
pp. 2277 ◽  
Author(s):  
Stergios Piligkos ◽  
Jesper Bendix ◽  
Høgni Weihe ◽  
Constantinos J. Milios ◽  
Euan K. Brechin
Keyword(s):  
Magnetic Anisotropy ◽  
Field Study ◽  
Spin State ◽  
Single Molecule ◽  
Ligand Field ◽  
Single Molecule Magnets ◽  
Ground Spin State

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...

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

Ligand-Field Energy Splitting in Lanthanide-Based Single-Molecule Magnets by NMR Spectroscopy

2017 ◽  
Vol 56 (24) ◽  
pp. 15285-15294 ◽  
Author(s):  
Markus Hiller ◽  
Saskia Krieg ◽  
Naoto Ishikawa ◽  
Markus Enders
Keyword(s):  
Nmr Spectroscopy ◽  
Single Molecule ◽  
Field Energy ◽  
Ligand Field ◽  
Energy Splitting ◽  
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.

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 3d single-ion magnets

2015 ◽  
Vol 44 (8) ◽  
pp. 2135-2147 ◽  
Author(s):  
Gavin A. Craig ◽  
Mark Murrie
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
Single Molecule ◽  
Metal Ion ◽  
Ligand Field ◽  
Single Molecule Magnets ◽  
Transition Metal Ion ◽  
Recent Approach

This review describes the recent approach to obtain single-molecule magnets where the magnetic properties arise from just one first row transition metal ion in a suitable ligand field.

Sign in / Sign up

Export Citation Format

Share Document