The Ligand Field of the Azido Ligand: Insights into Bonding Parameters and Magnetic Anisotropy in a Co(II)–Azido Complex

2015 ◽  
Vol 137 (5) ◽  
pp. 1993-2005 ◽  
Author(s):  
David Schweinfurth ◽  
Michael G. Sommer ◽  
Mihail Atanasov ◽  
Serhiy Demeshko ◽  
Stephan Hohloch ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Ligand Field ◽  
Bonding Parameters

ESR study of the structure and bonding situation in thiocyanatocopper(II) complexes with imidazole derivatives

1988 ◽  
Vol 53 (1) ◽  
pp. 56-60
Author(s):  
Anna Mašlejová ◽  
Reinhard Kirmse
Keyword(s):  
Unpaired Electron ◽  
Hyperfine Splitting ◽  
Esr Spectra ◽  
Ligand Field ◽  
Imidazole Derivatives ◽  
Bonding Parameters ◽  
Monomeric Complex ◽  
Structure And Bonding ◽  
Frozen Solutions ◽  
Planar Symmetry

ESR spectra of thianatocopper(II) complexes with imidazole derivatives were studied in ethanolic solutions at 295 and 123 K. Axialsymmetric spectra, attributed to the monomeric complex units, were obtained for the frozen solutions. The bonding parameters were interpreted by using calculated g, Cu-hyperfine, and 14N-ligand hyperfine splitting values. The Cu-N bond parameters indicate a considerable delocalization of the unpaired electron. The values of the isotropic Cu-hyperfine splitting suggest that the deviations from the planar symmetry of the CuN4 units are due to tetrahedral perturbation of the ligand field.

Is a strong axial crystal-field the only essential condition for a large magnetic anisotropy barrier? The case of non-Kramers Ho(iii) versus Tb(iii )

2018 ◽  
Vol 47 (2) ◽  
pp. 357-366 ◽  
Author(s):  
Sandeep K. Gupta ◽  
Thayalan Rajeshkumar ◽  
Gopalan Rajaraman ◽  
Ramaswamy Murugavel
Keyword(s):  
High Temperature ◽  
Magnetic Anisotropy ◽  
Crystal Field ◽  
Ligand Field ◽  
Essential Condition ◽  
Equatorial Ligand

This study highlights that although strong axiality holds the key for designing high temperature SMMs based on non-Kramers ions, the strength of the equatorial ligand field, although small, cannot be ignored.

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

Magnetic anisotropy and interaction between f-electronic systems in dinuclear inverted-sandwich-type lanthanide-phthalocyanine complexes

2014 ◽  
Vol 18 (10n11) ◽  
pp. 933-936 ◽  
Author(s):  
Satoshi Tsuchiya ◽  
Akira Fuyuhiro ◽  
Takamitsu Fukuda ◽  
Naoto Ishikawa
Keyword(s):  
Magnetic Susceptibility ◽  
Magnetic Anisotropy ◽  
Single Molecule ◽  
Magnetic Measurements ◽  
Field Potential ◽  
Magnetic Interaction ◽  
Ligand Field ◽  
Electronic Systems ◽  
Sandwich Type ◽  
Paramagnetic Shifts

The first detection and characterization of magnetic interaction between two 4f electronic systems in the dinuclear "inverted-sandwich-type" phthalocyanine complex with terbium ions and that of dysprosium ions are presented. Temperature dependent magnetic measurements for the diterbium complex, (μ-phthalocyaninato)bis[di(2,2,6,6-tetramethylheptane-3,5-dionato)terbium], show that the value of magnetic susceptibility times temperature, χT, sharply decreases as temperature is lowered, indicating the presence of an antiferromagnetic-type interaction between the Tb 3+ ions in the dinuclear complex. Similar temperature dependence was observed for the corresponding dinuclear dysprosium complex. These results are completely opposite to those observed for Pc triple-decker dinuclear terbium or dysprosium complexes, which are known to function as single molecule magnets. The NMR signals for the protons on the Pc ligand of the diterbium complex show up-field paramagnetic shifts due to the partially-filled 4f shells of the metal ions. This again makes sharp contrast to the triple-deckers, for which large down-field paramagnetic shifts are observed. These intriguing results seen in the NMR and magnetic susceptibility measurements are explained assuming the ligand field potential of the inverted-sandwich complexes gives strong easy-plain-type magnetic anisotropy, where Jz value of the lowest sublevel has a small value, while sandwich-type Pc3Ln2 ( Ln = Tb or Dy ) complexes have a strong easy-axis-type magnetic anisotropy.

scholarly journals Quantifying magnetic anisotropy using X-ray and neutron diffraction

IUCrJ ◽  
2021 ◽  
Vol 8 (5) ◽  
Author(s):  
Emil Andreasen Klahn ◽  
Emil Damgaard-Møller ◽  
Lennard Krause ◽  
Iurii Kibalin ◽  
Arsen Gukasov ◽  
...  
Keyword(s):  
High Resolution ◽  
Neutron Diffraction ◽  
Magnetic Anisotropy ◽  
Ab Initio ◽  
Single Molecule ◽  
Ligand Field ◽  
Zero Field ◽  
X Ray Diffraction ◽  
Zero Field Splitting ◽  
X Ray

In this work, the magnetic anisotropy in two iso-structural distorted tetrahedral Co(II) complexes, CoX 2tmtu2 [X = Cl(1) and Br(2), tmtu = tetramethylthiourea] is investigated, using a combination of polarized neutron diffraction (PND), very low-temperature high-resolution synchrotron X-ray diffraction and CASSCF/NEVPT2 ab initio calculations. Here, it was found consistently among all methods that the compounds have an easy axis of magnetization pointing nearly along the bisector of the compression angle, with minute deviations between PND and theory. Importantly, this work represents the first derivation of the atomic susceptibility tensor based on powder PND for a single-molecule magnet and the comparison thereof with ab initio calculations and high-resolution X-ray diffraction. Theoretical ab initio ligand field theory (AILFT) analysis finds the d xy orbital to be stabilized relative to the d xz and d yz orbitals, thus providing the intuitive explanation for the presence of a negative zero-field splitting parameter, D, from coupling and thus mixing of d xy and d x 2  −  y 2 . Experimental d-orbital populations support this interpretation, showing in addition that the metal–ligand covalency is larger for Br-ligated 2 than for Cl-ligated 1.

Enhanced magnetic anisotropy in a tellurium-coordinated cobalt single-ion magnet

2017 ◽  
Vol 4 (4) ◽  
pp. 701-705 ◽  
Author(s):  
Xiao-Nan Yao ◽  
Mu-Wen Yang ◽  
Jin Xiong ◽  
Jia-Jia Liu ◽  
Chen Gao ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Fine Tuning ◽  
Ligand Field

Fine-tuning of the ligand field of a series of four-coordinate Co(ii) SIMs, yielding the first tellurium-coordinated SIM.

Probing the Effects of Ligand Field and Coordination Geometry on Magnetic Anisotropy of Pentacoordinate Cobalt(II) Single-Ion Magnets

2017 ◽  
Vol 56 (12) ◽  
pp. 6870-6878 ◽  
Author(s):  
Amit Kumar Mondal ◽  
Tamal Goswami ◽  
Anirban Misra ◽  
Sanjit Konar
Keyword(s):  
Magnetic Anisotropy ◽  
Ligand Field ◽  
Coordination Geometry

Efficient enhancement of magnetic anisotropy by optimizing the ligand-field in a typically tetranuclear dysprosium cluster

2015 ◽  
Vol 44 (17) ◽  
pp. 8150-8155 ◽  
Author(s):  
Jiang Liu ◽  
Yan-Cong Chen ◽  
Zhong-Xia Jiang ◽  
Jun-Liang Liu ◽  
Jian-Hua Jia ◽  
...  
Keyword(s):  
Magnetic Field ◽  
External Magnetic Field ◽  
Magnetic Anisotropy ◽  
Single Molecule ◽  
Thermal Energy ◽  
Ligand Field ◽  
Energy Barriers ◽  
Single Molecule Magnets ◽  
Applied External Magnetic Field

Two tetranuclear dysprosium single molecule magnets under a zero applied external magnetic field showing high thermal energy barriers which are among the highest within the reported tetranuclear lanthanide-based SMMs.

scholarly journals Influence of ligand field on magnetic anisotropy in a family of pentacoordinate CoII complexes

2020 ◽  
Vol 49 (15) ◽  
pp. 4785-4796 ◽  
Author(s):  
Joydev Acharya ◽  
Arup Sarkar ◽  
Pawan Kumar ◽  
Vierandra Kumar ◽  
Jessica Flores Gonzalez ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Magnetic Anisotropy ◽  
Tridentate Ligand ◽  
Ligand Field

Three pentacoordinate CoII complexes were synthesized using a common tridentate ligand and varying the halide/pseudohalide ligand. The effect of the latter on the geometry and magnetic properties of the three complexes has been analysed.

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