A perturbation representation of weak covalent bonding

Schäffer, Claus Erik

doi:10.1007/bfb0118847

Cited by 258 publications

(87 citation statements)

References 13 publications

Supporting

Mentioning

Contrasting

Unclassified

Order By: Relevance

“…The 8c oordinating oxygen atoms have two unique positions, which are related to the others by the C 2 or S 4 axes. [22] The description of the ligand field in terms of the AOM parameters is entirely equivalent to the use of the crystal field parameters as given in ref. There are two e p parameters with respect to these local axes and one would expect e px > e py .T he definition of the AOM angles has been described in detail.…”

Section: Ivligandfield Calculationsmentioning

confidence: 99%

“…There are two e p parameters with respect to these local axes and one would expect e px > e py .T he definition of the AOM angles has been described in detail. [22] The description of the ligand field in terms of the AOM parameters is entirely equivalent to the use of the crystal field parameters as given in ref. [23].T he 27 possible B kq , B kq ' parameters are relatedt ot he 27 matrix elements of 7 7A OM matrixi n the basis of real fo rbitals (upper triangle-trace) as given in the literature.…”

Section: Ivligandfield Calculationsmentioning

confidence: 99%

See 1 more Smart Citation

Correlation of Structural and Magnetic Properties in a Set of Mononuclear Lanthanide Complexes

Comba

Daumann

Klingeler

et al. 2018

Chemistry A European J

View full text Add to dashboard Cite

The electronic and magnetic properties of a set of mononuclear terbium(III) and dysprosium(III) complexes with two tetradentate 1-hydroxy-pyridin-2-one (1,2-HOPO) ligands are reported. Two primary coordination geometries are observed, depending on the length of the linker between the 1,2-HOPO donor moieties and the resulting arrangements of the linker. Fine details of the magnetic circular dichroism (MCD) spectra of the dysprosium(III) complexes illustrate differences in the splitting of the J multiplets and allow for a thorough ligand field analysis. High frequency electron paramagnetic resonance (HF-EPR) studies of the terbium(III) complexes give insight into the composition of the ground states. Ab initio calculations are utilized to rationalize the experimental results and further illustrate the effect of the structural features on the electronic and magnetic properties of the different complexes.

show abstract

Section: Ivligandfield Calculationsmentioning

confidence: 99%

Section: Ivligandfield Calculationsmentioning

confidence: 99%

Correlation of Structural and Magnetic Properties in a Set of Mononuclear Lanthanide Complexes

Comba

Daumann

Klingeler

et al. 2018

Chemistry A European J

View full text Add to dashboard Cite

show abstract

“…Recently different programs on the basis of the angular overlap approach became available which starting from the electronic levels calculated by electronic parameters are working out spin-Hamiltonian (SH) parameters [18,19]. The angular overlap model (AOM) is particularly appealing [20] as it allows the use of parameters directly related to the a and x bonding interaction between metal ion and donor atom, which may be easily controlled by the synthetic chemist. Moreover, it is possible to use the real coordination geometry around the metal ion site, thus including effects due to the low symmetry of the ligand field.…”

Section: Introductionmentioning

confidence: 99%

High-frequency EPR: An occasion for revisiting ligand field theory

et al. 2001

View full text Add to dashboard Cite

The use of high-field electron paramagnetic resonance (EPR) made possible for the first time to obtain detailed information on the anisotropy of integer-spin systems, which are usually silent at conventional EPR frequencies. The data obtained so far by different research groups on nonKramers ions are reviewed within the framework of ligand field theory at different levels of approximations. Special attention is paid to the use of the angular overlap model, which resulted to be very powerful both in terms of qualitative and quantitative explanation of the experimental results.

show abstract

“…The ligand-field parameters were calculated using the LFP program [17], which is a modular and efficient version of the program for ligand-field analysis of 3d n ions in various symmetries. The AOM calculations were carried out within the framework of the angular overlap simple model developed by Schäffer [18,19] and Jørgensen [20]. The d-orbital energies for these complexes have been obtained using the standard procedure of finding the orbital energies [21].…”

Section: Methods Of Calculationsmentioning

confidence: 99%

Spectrochemical properties and solvatochromism of bis(salicylidene-2-amino-3-methylpyridine)copper(II)

Kurzak

Kuźniarska‐Biernacka

2009

Struct Chem

View full text Add to dashboard Cite

The title complex, denoted as [Cu(Msap) 2 ], is a deep brown solid soluble in common solvents like chloroform, toluene, benzene, dioxane, acetone, methanol, ethanol, 2-propanol, dimethylformamide, dimethyl sulfoxide, and acetonitrile that is a necessary condition for solvatochromism observation. The complex has been characterized by elemental analysis, molar conductivity, ultraviolet, and visible spectroscopy. The available X-ray data for similar compounds show that copper atom adopts planar coordination geometry. The molar conductivities indicate their non-electrolytic properties. The electronic spectra have been used to study the coordination properties of donor atoms and their bonding abilities, as well as solvatochromism. The results obtained show that the interactions of metal with donors depend on solvent polarity and the color changes are subtle.

show abstract

A perturbation representation of weak covalent bonding

Cited by 258 publications

References 13 publications

Correlation of Structural and Magnetic Properties in a Set of Mononuclear Lanthanide Complexes

Correlation of Structural and Magnetic Properties in a Set of Mononuclear Lanthanide Complexes

High-frequency EPR: An occasion for revisiting ligand field theory

Spectrochemical properties and solvatochromism of bis(salicylidene-2-amino-3-methylpyridine)copper(II)

Contact Info

Product

Resources

About