Intermediate spin ground state of an isosceles triangular [MnII3] complex

2009 ◽  
pp. 8162 ◽  
Author(s):  
Sima Haddadpour ◽  
Heiko Niedermeyer ◽  
Rodolphe Clérac ◽  
Stefanie Dehnen
Keyword(s):  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

Possibility for an intermediate-spin ground state in the charge-transfer materialSrCoO3

1995 ◽  
Vol 51 (17) ◽  
pp. 11501-11506 ◽  
Author(s):  
R. H. Potze ◽  
G. A. Sawatzky ◽  
M. Abbate
Keyword(s):  
Charge Transfer ◽  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

A Strongly Spin-Frustrated FeIII7Complex with a Canted Intermediate Spin Ground State ofS=7/2 or 9/2

2015 ◽  
Vol 21 (30) ◽  
pp. 10835-10842 ◽  
Author(s):  
Kartik Chandra Mondal ◽  
Valeriu Mereacre ◽  
George E. Kostakis ◽  
Yanhua Lan ◽  
Christopher E. Anson ◽  
...  
Keyword(s):  
Ground State ◽  
Intermediate Spin ◽  
Spin Ground State

Evidence for Magnetic Polarons in Hole-Doped Cobalt Perovskites

2010 ◽  
Vol 1256 ◽  
Author(s):  
Andrey Podlesnyak ◽  
Albert Furrer ◽  
Thierry Straessle ◽  
Ekaterina Pomjakushina ◽  
Kazimierz Conder ◽  
...  
Keyword(s):  
Spin State ◽  
Ground State ◽  
Magnetic Impurities ◽  
Natural Analog ◽  
Magnetic Polarons ◽  
Intermediate Spin ◽  
Nonmagnetic Matrix ◽  
Very High ◽  
Ferromagnetic Particles ◽  
Spin Ground State

AbstractA substitution of La3+ by Sr2+ in LaCoO3 induces holes in the low-spin ground state of the Co ions, which behave like magnetic impurities with a very high spin value (13 μB per hole). In this work, using single-crystal neutron spectroscopy, we prove that the charges introduced by strontium doping do not remain localized at the cobalt sites. Instead, each hole not only creates Co4+ in low-spin state, but it also transforms the six nearest neighboring Co3+ ions to the intermediate-spin state thereby forming a magnetic seven-site (heptamer) polaron. Spin-state polarons behave like magnetic nanoparticles embedded in an insulating nonmagnetic matrix. Therefore, lightly doped La1-xSrxCoO3 is a natural analog to artificial structures composed of ferromagnetic particles in insulating matrices.

MO-Theoretical Studies on a Model Complex for Deoxymyoglobin

1998 ◽  
Vol 53 (9) ◽  
pp. 755-765
Author(s):  
Christian Kollma ◽  
Sighart F. Fischer ◽  
Michael C. Böhm
Keyword(s):  
High Spin ◽  
Ground State ◽  
High Spin State ◽  
Open Shell ◽  
Spin States ◽  
Hartree Fock ◽  
Intermediate Spin ◽  
Model Complex ◽  
Out Of Plane ◽  
Overlap Method

AbstractThe origin of the displacement of the Fe atom in deoxymyoglobin with respect to the porphyrin plane in the high-spin state is examined by a qualitative molecular orbital (MO) analysis on the extended Hückel level. We find that attachment of a fifth ligand (imidazole in our model complex) to Fe(II)porphyrin favors the out-of-plane shift due to a strengthening of the bonding interaction between Fe and the nitrogen of the imidazole ligand. This results in a high-spin (5 = 2) ground state with Fe shifted out-of-plane for the five-coordinate complex instead of an intermediate spin ground state (5 = 1) with Fe lying in the plane for four-coordinate Fe(II)porphyrin. The relative energies of the different spin states as a function of the distance between Fe and the porphyrin plane are evaluated using an ROHF (restricted open shell Hartree-Fock) version of an INDO (intermediate neglect of differential overlap) method. We observe a level crossing between high-spin and intermediate spin states whereas the low-spin (5 = 0) state remains always higher in energy.

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

Targeted construction of azido-bridged Ni4complexes with decisive effect of µ-1,3-azide torsion on the spin ground state

2006 ◽  
pp. 3458-3465 ◽  
Author(s):  
Serhiy Demeshko ◽  
Guido Leibeling ◽  
Sebastian Dechert ◽  
Franc Meyer
Keyword(s):  
Ground State ◽  
Decisive Effect ◽  
Spin Ground State

Strong Ferromagnetic Interactions in[V8O14(H−2taci)2]: An Unprecedented Large Spin Ground State for a Vanadyl Cluster

2004 ◽  
Vol 43 (26) ◽  
pp. 3436-3439 ◽  
Author(s):  
Kaspar Hegetschweiler ◽  
Bernd Morgenstern ◽  
Jon Zubieta ◽  
Pamela J. Hagrman ◽  
Nicola Lima ◽  
...  
Keyword(s):  
Ground State ◽  
Ferromagnetic Interactions ◽  
Large Spin ◽  
Spin Ground State

Giant Heterometallic Cu17Mn28Cluster withTdSymmetry and High-Spin Ground State

2007 ◽  
Vol 129 (5) ◽  
pp. 1014-1015 ◽  
Author(s):  
Wen-Guo Wang ◽  
Ai-Ju Zhou ◽  
Wei-Xiong Zhang ◽  
Ming-Liang Tong ◽  
Xiao-Ming Chen ◽  
...  
Keyword(s):  
High Spin ◽  
Ground State ◽  
Spin Ground State

scholarly journals Controlled Synthesis, Characterization and Magnetic Properties of Unsymmetrical Heterodinuclear CuIIMII (M = Co, Mn and Cd) Complexes in Alkoxo Bridged Acyclic Ligand Environment

2020 ◽  
Vol 32 (9) ◽  
pp. 2284-2292
Author(s):  
DIPESH GHOSH
Keyword(s):  
Ground State ◽  
Spectral Studies ◽  
Controlled Synthesis ◽  
Site Specificity ◽  
Magnetic Studies ◽  
X Ray ◽  
X Ray Crystallography ◽  
Synthetic Procedure ◽  
Binucleating Ligands ◽  
Spin Ground State

This work reports the syntheses of heterodinuclear Cu(II)-Co(II), Cu(II)-Mn(II) and Cu(II)-Cd(II) complexes following a convenient single-pot synthetic procedure using the two asymmetric binucleating ligands. Site-specificity offered by one of the ligands' arms towards Cu(I) center has been successfully exploited here, avoiding all sorts of impending scrambling reactions. X-ray crystallography and ESImass spectral studies have been used to prove the exclusivity of these products. Magnetic studies at variable temperatures (4-300 K) have been proved inadequate to assign any spin-ground state for Cu(II)-Co(II) and Cu(II)-Mn(II) compounds.

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