K-39 MAS NMR of KNiF3: unexpected spin density at the potassium and first MAS NMR experiments in the antiferromagnetic state

Citation
D. Markgraber et G. Engelhardt, K-39 MAS NMR of KNiF3: unexpected spin density at the potassium and first MAS NMR experiments in the antiferromagnetic state, CHEM P LETT, 300(5-6), 1999, pp. 701-705
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
300
Issue
5-6
Year of publication
1999
Pages
701 - 705
Database
ISI
SICI code
0009-2614(19990212)300:5-6<701:KMNOKU>2.0.ZU;2-U
Abstract
K-39 MAS NMR spectra of KNiF3 were measured at variable temperature between 180 and 450 K, In the paramagnetic state (450-270 K), a shift of the K-39 resonance to lower frequency is observed with decreasing temperature which is due to an isotropic hyperfine interaction with A(iso) = -(0.30 +/- 0.05) x 10(-6) cm(-1). This is in contrast to theory which predicts zero unpaire d electron density at the potassium. In the antiferromagnetic state (below 250 K), a reduction of the shift contribution from the unpaired electrons i s observed. The temperature dependence of the K-39 shifts parallels that of the magnetic susceptibilities over the whole temperature range measured. ( C) 1999 Elsevier Science B.V. All rights reserved.