1.1.3.5 Ligand field effects, high-spin and low-spin compounds and orbital contribution

2005 ◽  
pp. 10-11
Author(s):  
E. König ◽  
G. König
Keyword(s):  
High Spin ◽  
Ligand Field ◽  
Orbital Contribution ◽  
Field Effects

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

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 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

Ab InitioCalculations on KNiF3: Ligand-Field Effects

1972 ◽  
Vol 5 (11) ◽  
pp. 4291-4301 ◽  
Author(s):  
A. J. H. Wachters ◽  
W. C. Nieuwpoort
Keyword(s):  
Ligand Field ◽  
Field Effects

Metal acetylacetonates: Interpretation of infrared spectra and new evidence for ligand field effects

1967 ◽  
Vol 3 (2) ◽  
pp. 51-55 ◽  
Author(s):  
R.D. Hancock ◽  
H.W. Sacks ◽  
Rosemary Thornton ◽  
David A. Thornton
Keyword(s):  
Infrared Spectra ◽  
Ligand Field ◽  
Metal Acetylacetonates ◽  
Field Effects ◽  
New Evidence
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