A scalar crystal field strength parameter for rare-earth ions : meaning and usefulness

The crystal field parameters of base-free (Me 3 SiC5 H4 )3 Pr, (C5 H 5 )3 Pr.ΝCCH 3 , (C5 H5 ) 3 La(ΝCCH3 ) 2 :Pr, [Ρr(C8 H8 )]+ and Νd[Ν(SiMe3 ) 2 ]3 as model compound for Νd[CH(SiMe 3 ) 2 ]3 were inserted into the corresponding energy matrices of a model spin-free f1 system. Diagonalizing these matrices the crystal field splitting patterns of the f orbitals were calculated. These experimentally based molecular orbital schemes are compared with the results of previous model calculations.

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“…The parameter may be considered as a measure of the relative CF strengths of ligand surrounding the metal ion [22].…”

Section: Crystal Field Modelmentioning

confidence: 99%

Electronic Structure of Organometallic Complexes of f Elements. Are Molecular Orbital Calculations a Useful Tool for Spectroscopists?

Jank

Amberger

1996

Acta Phys. Pol. A

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“…is convenient to use a generalization of Auzel's scalar crystal-field strength parameter, Nv, Auzel and Malta (1983), where …”

Section: When Comparing the Magnitudes Of Different Crystal-field Strmentioning

confidence: 99%

Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution

Carnall¹,

Crosswhite²

1986

The Chemistry of the Actinide Elements

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DISCLAIMER (1959)......t................................ Free-ion Energy Levels and Parameters for Pr AbstractThis report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included.Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties.Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states.

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“…A scalar crystal-field strength parameter of this kind was given firstly by Auzel and Malta [1,2] as (in original notation):…”

Section: Conventional Definition Of the Crystal-field Strength Parametermentioning

confidence: 99%

“…In fact, σ and S could be correlated similarly as σ k and S k in the previous case, only if the elements J||C (k) ||J were equal for all k. Nevertheless, the second moment of the Stark levels within a particular state |αSLJ is simply given in terms of S 2 , S 4 and S 6 . Auzel and Malta [2] made an attempt to average the σ 2 quadratic form by bringing down its respective…”

Section: Conventional Definition Of the Crystal-field Strength Parametermentioning

confidence: 99%

On a complementary scale of crystal-field strength

Mulak

2007

J. Phys. A: Math. Theor.

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A new measure of the crystal-field strength, complementary to the conventional one, is defined. It is based on the rotational invariants |B k0 | av or | k B k0 | av , k = 2, 4, 6, of the crystal-(ligand)-field (CF) Hamiltonian H CF parametrizations, i.e. on the axial CF parameters modules averaged over all reference frame orientations. They turn out to be equal to H (k) CF av and |H CF | av , respectively. While the traditional measure is established on the parametrization modules or on the second moment of the CF energy levels, the introduced scale employs rather the first moment of the energy modules and has better resolving power. The new scale is able to differentiate the strength of various iso-modular parametrizations according to the classes of rotationally equivalent parametrizations. Using both the compatible CF strength measures one may draw more accurate conclusions about the Stark levels arrays and particularly their total splitting magnitudes.PACS: 71.70.Ch

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A scalar crystal field strength parameter for rare-earth ions : meaning and usefulness

Cited by 285 publications

References 13 publications

Electronic Structure of Organometallic Complexes of f Elements. Are Molecular Orbital Calculations a Useful Tool for Spectroscopists?

Electronic Structure of Organometallic Complexes of f Elements. Are Molecular Orbital Calculations a Useful Tool for Spectroscopists?

Optical Spectra and Electronic Structure of Actinide Ions in Compounds and in Solution

On a complementary scale of crystal-field strength

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