scholarly journals Assessment of the ground spin state of iron(i) complexes: insights from DFT predictive models

2018 ◽  
Vol 42 (10) ◽  
pp. 7612-7616 ◽  
Author(s):  
L. Rousseau ◽  
E. Brémond ◽  
G. Lefèvre
Keyword(s):  
Spin State ◽  
Predictive Models ◽  
Dft Methods ◽  
Ground Spin State

Factors governing the ground spin state of iron(i) complexes are analyzed by DFT methods. An efficient benchmarking procedure is reported.

Ground Spin State Variation in Carboxylate-Bridged Tetranuclear [Fe2Mn2O2]8+ Cores and a Comparison with Their [Fe4O2]8+ and [Mn4O2]8+ Congeners

2003 ◽  
Vol 2003 (3) ◽  
pp. 541-555 ◽  
Author(s):  
Phalguni Chaudhuri ◽  
Eva Rentschler ◽  
Frank Birkelbach ◽  
Carsten Krebs ◽  
Eckhard Bill ◽  
...  
Keyword(s):  
Spin State ◽  
State Variation ◽  
Ground Spin State

Quasi-isotropic SMMs: slow relaxation of the magnetization in polynuclear CuII/MnII complexes.

2022 ◽  
Author(s):  
Evangelos Pilichos ◽  
Pradip Bhunia ◽  
Merce Font-Bardia ◽  
Ashutosh Ghosh ◽  
Julia Mayans ◽  
...  
Keyword(s):  
Spin State ◽  
Slow Relaxation ◽  
Ground Spin State ◽  
Large Clusters

Three field induced SMMs built from quasi isotropic cations like CuII and MnII have been characterized, showing that relatively large clusters with quasi negligible D and different ground spin state,...

scholarly journals [3Fe-4S]↔[4Fe-4S] cluster interconversion in Desulfovibrio africanus ferredoxin III: properties of an Asp14→Cys mutant

1997 ◽  
Vol 323 (1) ◽  
pp. 95-102 ◽  
Author(s):  
Johanneke L. H. BUSCH ◽  
Jacques L. BRETON ◽  
Barry M. BARTLETT ◽  
Fraser A. ARMSTRONG ◽  
Richard JAMES ◽  
...  
Keyword(s):  
Escherichia Coli ◽  
Cluster Analysis ◽  
Spin State ◽  
Magnetic Circular Dichroism ◽  
Cysteine Residue ◽  
Mutant Protein ◽  
Native Protein ◽  
Ground Spin State ◽  
Aspartate Residue ◽  
Reduced State

The 8Fe ferredoxin III from Desulfovibrio africanus is a monomeric protein which contains two [4Fe-4S]2+/1+ clusters, one of which is labile and can readily and reversibly lose one Fe under oxidative conditions to yield a [3Fe-4S]1+/0 cluster. This 4Fe cluster has an S = 3/2 ground spin state instead of S = 1/2 in the reduced +1 state [George, Armstrong, Hatchikian and Thomson (1989) Biochem. J.264, 275-284]. The co-ordination to this cluster is unusual in that an aspartate (Asp14, D14) is found where a cysteine residue normally occurs. Using a mutant protein obtained from the overexpression in Escherichia coli of a synthetic gene in which Asp14, the putative ligand to the removable Fe, has been changed to Cys, we have studied the cluster interconversion properties of the labile cluster. Analysis by EPR and magnetic-circular-dichroism spectroscopies showed that the Asp14 → Cys (D14C) mutant contains two [4Fe-4S]2+/1+ clusters, both with S = 1/2 in the reduced state. Also, unlike in native 8Fe D. africanus ferredoxin III, the 4Fe ↔ 3Fe cluster interconversion reaction was found to be sluggish and did not go to completion. It is inferred that the reversibility of the reaction in the native protein is due to the presence of the aspartate residue at position 14 and that this residue might protect the [3Fe-4S] cluster from further degradation.

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

Large Zero-Field Splittings of the Ground Spin State Arising from Antisymmetric Exchange Effects in Heterometallic Triangles

2014 ◽  
Vol 126 (21) ◽  
pp. 5414-5417 ◽  
Author(s):  
Samantha A. Magee ◽  
Stephen Sproules ◽  
Anne-Laure Barra ◽  
Grigore A. Timco ◽  
Nicholas F. Chilton ◽  
...  
Keyword(s):  
Spin State ◽  
Zero Field ◽  
Exchange Effects ◽  
Ground Spin State

Classical Theory of the Ground Spin-State in Cubic Spinels

1962 ◽  
Vol 126 (2) ◽  
pp. 540-555 ◽  
Author(s):  
D. H. Lyons ◽  
T. A. Kaplan ◽  
K. Dwight ◽  
N. Menyuk
Keyword(s):  
Spin State ◽  
Classical Theory ◽  
Ground Spin State

Cover Picture: A Ferromagnetically Coupled Mn19 Aggregate with a RecordS=83/2 Ground Spin State (Angew. Chem. Int. Ed. 30/2006)

2006 ◽  
Vol 45 (30) ◽  
pp. 4875-4875 ◽  
Author(s):  
Ayuk M. Ako ◽  
Ian J. Hewitt ◽  
Valeriu Mereacre ◽  
Rodolphe Clérac ◽  
Wolfgang Wernsdorfer ◽  
...  
Keyword(s):  
Spin State ◽  
Ground Spin State

Ground Spin State Changes and 3 D Networks of Exchange Coupled [MnIII3] Single-Molecule Magnets

2008 ◽  
Vol 14 (30) ◽  
pp. 9117-9121 ◽  
Author(s):  
Ross Inglis ◽  
Leigh F. Jones ◽  
Kevin Mason ◽  
Anna Collins ◽  
Stephen A. Moggach ◽  
...  
Keyword(s):  
Spin State ◽  
Single Molecule ◽  
Single Molecule Magnets ◽  
Ground Spin State ◽  
State Changes
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