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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Theoretical Chemistr...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Theoretical Chemistry Accounts
Article . 1975 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
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Ligand field distortion parameters

Authors: Bryan R. Hollebone; J. C. Donini;

Ligand field distortion parameters

Abstract

The factorization of ligand field parameters into angular and radial contributions is examined. The angular term breaks up into a product of geometric and chemical environment tensors each of which contributes to the magnitude of the distortion parameter. The purely geometric function may be expressed as axial projections which need not represent metal-ligand bond positions. This permits direct comparison of D ndand D nhgroup properties. This projection description involves no approximations and since the operators are Normalized Spherical Harmonic Hamiltonians the derived radial integrals are all scalars of the octahedron and comparable between groups in different subduction chains. The projection factorization aids the description of intermediate symmetries. The tetragonal antiprism, the trigonal prism and the trigonal bipyramid each are capable of intermediate symmetry derived from cubic figures. In each case the Hamiltonian contains only one independent parameter. Each of these special conditions can be used as the geometric origin in distortion space diagrams. The radial function r 4 is shown to be a function of n 8. Only a small increase in the principal number n of d Orbitals is needed to account for observed values of DQ and these are justified using a United Atom model of transition metal complexes. The ratio of radial functions A 1 in distortion parameters then represents slight variations in n induced by different ligands.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
8
Average
Top 10%
Average
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