Ligand-Field Calculations on Pseudo-Tetragonal High-Spin Fe(II) Compounds-Reference-Cited by-同舟云学术

Ligand-Field Calculations on Pseudo-Tetragonal High-Spin Fe(II) Compounds

Published:1977-12-01 Issue:12 Volume:32 Page:1393-1403
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Vermaas A.¹,Groeneveld W. L.¹,Reedijk J.²

Affiliation:

1. Department of Coordination Chemistry, State University, P.O. Box 75, Leiden The Netherlands

2. Department of Chemistry, Delft University of Technology, Julianalaan 136, Delft The Netherlands

Abstract

Abstract The paramagnetic susceptibility behaviour as well as the Mössbauer quadrupole splitting are calculated for high-spin d6 systems with a tetragonal or an orthorhombic point-symmetry. The calculations include a simultaneous perturbation of the 5D multiplet by spin-orbit interaction and static octahedral-tetragonal and orthorhombic fields. The lattice contribution to the electric-field gradient is calculated on the basis of a crystal-field model that directly relates crystal-field energy parameters to the lattice contribution. It appears that, espacially for compounds with large Ds values, the lattice contribution to the quadrupole splitting cannot be ignored.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-1977-1210/pdf

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