The influence of ligand field effects on the magnetic exchange of high-spin Co(ii)-semiquinonate complexes

2006 ◽  
pp. 722-729 ◽  
Author(s):  
Alessandro Bencini ◽  
Alessandra Beni ◽  
Ferdinando Costantino ◽  
Andrea Dei ◽  
Dante Gatteschi ◽  
...  
Keyword(s):  
High Spin ◽  
Ligand Field ◽  
Magnetic Exchange ◽  
Field Effects

Magnetic exchange and anisotropic susceptibilities in high-spin binuclear cobalt II species

1978 ◽  
Vol 360 (1701) ◽  
pp. 161-189 ◽  
Keyword(s):  
High Spin ◽  
Ligand Field ◽  
Magnetic Exchange ◽  
Field Perturbation ◽  
Magnetic Susceptibilities ◽  
The One ◽  
Exchange Parameters

A model is described for the calculation of the principal magnetic susceptibilities of exchange-coupled binuclear cobaltn species. The two-centre exchange calculation is performed within a basis constructed from appropriately antisymmetrized products of the one-centre functions belonging to the 4 F + 4 P terms. The exchange parameters refer to interactions between separate one-centre orbitals, in the spirit of Anderson’s kinetic and potential exchange pathways, so bearing some resemblance to the angular overlap parameters used to describe the one-centre, ligand-field perturbation.

scholarly journals Correlating Axial and Equatorial Ligand Field Effects to the Single-Molecule Magnet Performances of a Family of Dysprosium Bis-Methanediide Complexes

2021 ◽  
Author(s):  
Lewis Thomas-Hargreaves ◽  
Marcus Giansiracusa ◽  
Matthew Gregson ◽  
Emanuele Zanda ◽  
Felix O'Donnell ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Single Molecule ◽  
Ligand Field ◽  
Single Molecule Magnet ◽  
Field Effects ◽  
Equatorial Ligand ◽  
Metal Alkyls

Treatment of the new methanediide-methanide complex [Dy(SCS)(SCSH)(THF)] (1Dy, SCS = {C(PPh2S)2}2-) with alkali metal alkyls and auxillary ethers produces the bis-methanediide complexes [Dy(SCS)2][Dy(SCS)2(K(DME)2)2] (2Dy), [Dy(SCS)2][Na(DME)3] (3Dy) and [Dy(SCS)2][K(2,2,2-cryptand)] (4Dy). For...

scholarly journals Assessing crystal field and magnetic interactions in diuranium-μ-chalcogenide triamidoamine complexes with UIV–E–UIV cores (E = S, Se, Te): implications for determining the presence or absence of actinide–actinide magnetic exchange

2017 ◽  
Vol 8 (9) ◽  
pp. 6207-6217 ◽  
Author(s):  
Benedict M. Gardner ◽  
David M. King ◽  
Floriana Tuna ◽  
Ashley J. Wooles ◽  
Nicholas F. Chilton ◽  
...  
Keyword(s):  
Crystal Field ◽  
Exchange Coupling ◽  
Magnetic Interactions ◽  
Magnetic Exchange ◽  
Field Effects

Analysis of UIV–E–UIV (E = S, Se, Te) complexes reveals their behaviour is due to crystal field effects and not exchange coupling.

High-spin tetranuclear MnII2MnIV2 clusters with unique Mn(ii)–Mn(iv) magnetic exchange: synthesis, structures and magnetism

2009 ◽  
pp. 3182 ◽  
Author(s):  
Ai-Ju Zhou ◽  
Jun-Liang Liu ◽  
Radovan Herchel ◽  
Ji-Dong Leng ◽  
Ming-Liang Tong
Keyword(s):  
High Spin ◽  
Magnetic Exchange

scholarly journals Ligand Field Effects on the Ground and Excited States of the Catalytically Active FeO2+ Species

2018 ◽  
Author(s):  
Justin K. Kirkland ◽  
Shahriar N. Khan ◽  
Bryan Casale ◽  
Evangelos Miliordos ◽  
Konstantinos Vogiatzis
Keyword(s):  
Excited States ◽  
Function Theory ◽  
Weak Field ◽  
Ligand Field ◽  
Model Complexes ◽  
Coordination Environment ◽  
Reactivity Descriptors ◽  
Field Effects ◽  
Catalytically Active ◽  
High Level

<p>We have performed high-level wave function theory calculations on bare FeO2+ and a series of non-heme Fe(IV)-oxo model complexes in order to elucidate the electronic properties and the ligand field effects on those channels. Our results suggest that a coordination environment formed by a weak field gives access to both competitive channels, yielding more reactive Fe(IV)-oxo sites. On the contrary, a strong ligand environment stabilizes only the σ-channel. Our concluding remarks will aid on the derivation of new structure-reactivity descriptors that can contribute on the development of the next generation of functional catalysts.</p>

scholarly journals Ligand Field Effects on the Ground and Excited States of the Catalytically Active FeO2+ Species

2018 ◽  
Author(s):  
Justin K. Kirkland ◽  
Shahriar N. Khan ◽  
Bryan Casale ◽  
Evangelos Miliordos ◽  
Konstantinos Vogiatzis
Keyword(s):  
Excited States ◽  
Function Theory ◽  
Weak Field ◽  
Ligand Field ◽  
Model Complexes ◽  
Coordination Environment ◽  
Reactivity Descriptors ◽  
Field Effects ◽  
Catalytically Active ◽  
High Level

<p>We have performed high-level wave function theory calculations on bare FeO2+ and a series of non-heme Fe(IV)-oxo model complexes in order to elucidate the electronic properties and the ligand field effects on those channels. Our results suggest that a coordination environment formed by a weak field gives access to both competitive channels, yielding more reactive Fe(IV)-oxo sites. On the contrary, a strong ligand environment stabilizes only the σ-channel. Our concluding remarks will aid on the derivation of new structure-reactivity descriptors that can contribute on the development of the next generation of functional catalysts.</p>

Unusual ligand field effects in square-planar cobalt(II) complexes of quadridentate Schiff bases

1985 ◽  
Vol 24 (8) ◽  
pp. 1159-1165 ◽  
Author(s):  
A. Ceulemans ◽  
M. Dendooven ◽  
L. G. Vanquickenborne
Keyword(s):  
Schiff Bases ◽  
Ligand Field ◽  
Field Effects ◽  
Square Planar
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