ESR studies of electron irradiated K$sub 3$Ir/supIII/(CN)$sub 6$ in KCl single crystals. II. Strong quadrupole effects on the hyperfine structure in Ir/supII/(CN)$sub 5$ species
The effects of a large quadrupolar interaction in the Ir/sup 11/(CN)/sup 5/ molecule in a KCl lattice are analyzed using a MAGNSPEC computer program. Some empirical rules are given to help in the interpretation of this kind of spectra. g and A formulas deduced in a ligand field approximation for a d/sub z2/ ground state are used to calculate the unpaired electron density on the metal. The hyperfine constant are determined to be positive leading to a positive value for the core polarization consant X, indicating a contribution of 6s wave funcion to the unpaired electron molecular orbital. The analysis of the ESR data indicate the presence of two nonequivalent sites for the Ir/sup 11/(CN)/sub 5/ molecule in KC l, differing only by the orientation of the principal axes of the quadrupolar interaction. A possible influences of the vacancies created by charge compensation on thc existence of these two sites is discussed. The ratio between the nuclear quadrupole moments for the iridium isotopes is determined to be /sup 193/Q: /sup 191/Q = 0.91 plus or minus 0.03. (auth)
- Research Organization:
- Centro Brasileiro de Pesquisas Fisicas Rio de Janeiro, Brazil
- NSA Number:
- NSA-29-020732
- OSTI ID:
- 4328019
- Journal Information:
- J. Chem. Phys., v. 59, no. 8, pp. 4418-4422, Journal Name: J. Chem. Phys., v. 59, no. 8, pp. 4418-4422; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
*INDIUM COMPLEXES-- RADIATION CHEMISTRY
*IRIDIUM 191-- NUCLEAR MAGNETIC MOMENTS
*IRIDIUM 193-- NUCLEAR MAGNETIC MOMENTS
*POTASSIUM COMPOUNDS-- RADIATION CHEMISTRY
ELECTRON BEAMS
ELECTRON SPIN RESONANCE
HYPERFINE STRUCTURE
IRIDIUM COMPOUNDS
MONOCRYSTALS
N40300* --Chemistry--Radiation Chemistry
N68941 --Physics (Nuclear
Experimental)--Nuclear Properties & Reactions
190 <= A <= 219--Moments & Spin