Analyzing the enforcement of a high-spin ground state for a metallacrown single-molecule magnet

2016 ◽  
Vol 93 (17) ◽  
Author(s):  
P. Happ ◽  
A. Sapozhnik ◽  
J. Klanke ◽  
P. Czaja ◽  
A. Chernenkaya ◽  
...  
Keyword(s):  
High Spin ◽  
Single Molecule ◽  
Ground State ◽  
Single Molecule Magnet ◽  
Spin Ground State

DFT Computational Rationalization of an Unusual Spin Ground State in an Mn12 Single-Molecule Magnet with a Low-Symmetry Loop Structure

2005 ◽  
Vol 117 (6) ◽  
pp. 919-923 ◽  
Author(s):  
Dolos Foguet-Albiol ◽  
Ted A. O'Brien ◽  
Wolfgang Wernsdorfer ◽  
Brian Moulton ◽  
Michael J. Zaworotko ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Loop Structure ◽  
Single Molecule Magnet ◽  
Low Symmetry ◽  
Spin Ground State

Spectroscopic Investigation of a Metal–Metal-Bonded Fe6 Single-Molecule Magnet with an Isolated S = 19/2 Giant-Spin Ground State

2021 ◽  
Vol 60 (7) ◽  
pp. 4610-4622
Author(s):  
Joscha Nehrkorn ◽  
Samuel M. Greer ◽  
Brian J. Malbrecht ◽  
Kevin J. Anderton ◽  
Azar Aliabadi ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Spectroscopic Investigation ◽  
Single Molecule Magnet ◽  
Metal Metal ◽  
Spin Ground State

“Spin Tweaking” of a High-Spin Molecule: An Mn25 Single-Molecule Magnet with anS=61/2 Ground State

2007 ◽  
Vol 46 (6) ◽  
pp. 884-888 ◽  
Author(s):  
Theocharis C. Stamatatos ◽  
Khalil A. Abboud ◽  
Wolfgang Wernsdorfer ◽  
George Christou
Keyword(s):  
High Spin ◽  
Single Molecule ◽  
Ground State ◽  
Single Molecule Magnet

A new Mn25 single-molecule magnet with an S=61/2 ground state arising from ligand-induced ‘spin-tweaking’ in a high-spin molecule

Polyhedron ◽  
2007 ◽  
Vol 26 (9-11) ◽  
pp. 2095-2100 ◽  
Author(s):  
Theocharis C. Stamatatos ◽  
Khalil A. Abboud ◽  
Wolfgang Wernsdorfer ◽  
George Christou
Keyword(s):  
High Spin ◽  
Single Molecule ◽  
Ground State ◽  
Single Molecule Magnet

DFT Computational Rationalization of an Unusual Spin Ground State in an Mn12 Single-Molecule Magnet with a Low-Symmetry Loop Structure

2005 ◽  
Vol 44 (6) ◽  
pp. 897-901 ◽  
Author(s):  
Dolos Foguet-Albiol ◽  
Ted A. O'Brien ◽  
Wolfgang Wernsdorfer ◽  
Brian Moulton ◽  
Michael J. Zaworotko ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Loop Structure ◽  
Single Molecule Magnet ◽  
Low Symmetry ◽  
Spin Ground State

“Spin Tweaking” of a High-Spin Molecule: An Mn25 Single-Molecule Magnet with anS=61/2 Ground State

2007 ◽  
Vol 119 (6) ◽  
pp. 902-906 ◽  
Author(s):  
Theocharis C. Stamatatos ◽  
Khalil A. Abboud ◽  
Wolfgang Wernsdorfer ◽  
George Christou
Keyword(s):  
High Spin ◽  
Single Molecule ◽  
Ground State ◽  
Single Molecule Magnet

Single-Chain Magnet (NEt4)[Mn2(5-MeOsalen)2Fe(CN)6] Made of MnIII−FeIII−MnIIITrinuclear Single-Molecule Magnet with anST=9/2Spin Ground State

2005 ◽  
Vol 127 (9) ◽  
pp. 3090-3099 ◽  
Author(s):  
Marilena Ferbinteanu ◽  
Hitoshi Miyasaka ◽  
Wolfgang Wernsdorfer ◽  
Kazuya Nakata ◽  
Ken-ichi Sugiura ◽  
...  
Keyword(s):  
Single Molecule ◽  
Ground State ◽  
Single Chain ◽  
Single Molecule Magnet

scholarly journals Influence of the supramolecular architecture on the magnetic properties of a DyIII single-molecule magnet: an ab initio investigation

2014 ◽  
Vol 5 ◽  
pp. 2267-2274 ◽  
Author(s):  
Julie Jung ◽  
Olivier Cador ◽  
Kevin Bernot ◽  
Fabrice Pointillart ◽  
Javier Luzon ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Magnetic Properties ◽  
Single Molecule ◽  
Ground State ◽  
Supramolecular Interactions ◽  
Supramolecular Organization ◽  
Supramolecular Architecture ◽  
Magnetic Ground State ◽  
Single Molecule Magnet ◽  
Hydrogen Bond Networks

Single-crystal angular-resolved magnetometry and wavefunction-based calculations have been used to reconsider the magnetic properties of a recently reported DyIII-based single-molecule magnet, namely [Dy(hfac)3(L1)] with hfac− = 1,1,1,5,5,5-hexafluoroacetylacetonate and L1 = 2-(4,5-bis(propylthio)-1,3-dithiol-2-ylidene)-6-(pyridin-2-yl)-5H-[1,3]dithiolo[4',5':4,5]benzo[1,2-d]imidazole. The magnetic susceptibility and magnetization at low temperature are found to be strongly influenced by supramolecular interactions. Moreover, taking into account the hydrogen-bond networks in the calculations allows to explain the orientation of the magnetic axes. This strongly suggests that hydrogen bonds play an important role in the modulation of the electrostatic environment around the DyIII center that governs the nature of its magnetic ground-state and the orientation of its anisotropy axes. We thus show here that SMM properties that rely on supramolecular organization may not be transferable into single-molecule devices.

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