Vibrational and ligand-field effects in the high resolution core-level spectroscopy of molecules

1994 ◽  
Vol 87 (1-4) ◽  
pp. 183-189 ◽  
Author(s):  
D.G.J. Sutherland ◽  
Z.F. Liu ◽  
G.M. Bancroft ◽  
K.H. Tan
Keyword(s):  
High Resolution ◽  
Core Level ◽  
Ligand Field ◽  
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...

Temperature effect on the reconstruction of Sb/Si(001) interface studied by high resolution core level spectroscopy and RHEED analysis

2000 ◽  
Vol 166 (1-4) ◽  
pp. 214-219 ◽  
Author(s):  
P De Padova ◽  
R Larciprete ◽  
C Quaresima ◽  
A Reginelli ◽  
P Perfetti
Keyword(s):  
High Resolution ◽  
Temperature Effect ◽  
Core Level

Adsorption of lithium on the Si(111)7×7 surface studied with high resolution core-level spectroscopy

1993 ◽  
Vol 284 (1-2) ◽  
pp. L384-L388 ◽  
Author(s):  
T.M. Grehk ◽  
C.U.S. Larsson ◽  
N.P. Prince ◽  
S.A. Flodström
Keyword(s):  
High Resolution ◽  
Core Level

Oxidized silicon surfaces studied by high resolution Si 2p core-level photoelectron spectroscopy using synchrotron radiation

2001 ◽  
Vol 280 (1-3) ◽  
pp. 150-155 ◽  
Author(s):  
Florence Jolly ◽  
François Rochet ◽  
Georges Dufour ◽  
Christoph Grupp ◽  
Amina Taleb-Ibrahimi
Keyword(s):  
High Resolution ◽  
Synchrotron Radiation ◽  
Photoelectron Spectroscopy ◽  
Core Level ◽  
Silicon Surfaces

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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