THE COMPRESSED TETRAGONAL CUF6(4-) COMPLEX IN KALCUF6 - AN ANGULAR OVERLAP TREATMENT OF THE ELECTRONIC-STRUCTURE AND MAGNETIC EXCHANGE COUPLING

Authors
ATANASOV M HITCHMAN MA HOPPE R MURRAY KS MOUBARAKI B REINEN D STRATEMEIER H
Citation
M. Atanasov et al., THE COMPRESSED TETRAGONAL CUF6(4-) COMPLEX IN KALCUF6 - AN ANGULAR OVERLAP TREATMENT OF THE ELECTRONIC-STRUCTURE AND MAGNETIC EXCHANGE COUPLING, Inorganic chemistry, 32(16), 1993, pp. 3397-3401
Citations number
45
Categorie Soggetti
Chemistry Inorganic & Nuclear
Journal title
Inorganic chemistry → ACNP
ISSN journal
00201669
Volume
32
Issue
16
Year of publication
1993
Pages
3397 - 3401
Database
ISI
SICI code
0020-1669(1993)32:16<3397:TCTCCI>2.0.ZU;2-3
Abstract
The electronic spectrum and temperature dependence of the magnetic sus ceptibility of powdered KAlCuF6 is reported and shown to be consistent with the compressed tetragonal geometry of the CuF64- groups in this compound. Angular overlap bonding parameters are derived and used to e stimate the magnetic coupling between the Cu2+ ions, which are linked in chains via the axial fluoride ligands. Good agreement is obtained w ith the observed exchange coupling constant J = -60 cm-1, and it is sh own that this coupling is expected to be strongly dependent on the CuF Cu bridging angle.