EPR studies of paramagnetic rhodium centers in LiH and LiD
EPR spectra have been obtained for two independent paramagnetic Rh centers in UV-irradiated single crystals of LiH and LiD. The spin Hamiltonians for both species indicate S=1/2 and are assigned to Rh/sup 2 +/ ions with low-spin 4d/sup 7/ electron configurations. Analysis of the anisotropic g-factor for the tetragonal center shows the unpaired electron is the Rh 4d/sub x/2-y2 orbital. The unpaired electron occupies the 4d/sub 3z/ /sup 2//sub -r/ /sup 2/ orbital in the orthorhombic center. The g factor, hyperfine constants, and protium superhyperfine constants for the Rh centers in LiH and LiD are compared with similar parameters for Rh/sup 2 +/ ions in several halide and oxide crystals. Although the isotropic protium hyperfine values indicate significant vertical-bar1s>-vertical-bar4d> orbital interactions, the total covalency in the Rh--H(D) bonds is rather small since the hydrogen vertical-bar2p> orbitals cannot participate. The displacements of H ligands in the Rh centers have been determined from the direct-dipolar contributions to the superhyperfine tensor.
- Research Organization:
- Monsanto Research Corporation, Mound Facility Miamisburg, Ohio 45342
- OSTI ID:
- 6335902
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 70:6; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ALKALI METAL COMPOUNDS
CHARGED PARTICLES
CRYSTAL STRUCTURE
CRYSTALS
DATA
DATA FORMS
DEUTERIDES
DEUTERIUM COMPOUNDS
ELECTROMAGNETIC RADIATION
ELECTRON SPIN RESONANCE
EXPERIMENTAL DATA
GYROMAGNETIC RATIO
HYDRIDES
HYDROGEN COMPOUNDS
HYPERFINE STRUCTURE
INFORMATION
IONS
ISOLATED VALUES
LITHIUM COMPOUNDS
LITHIUM DEUTERIDES
LITHIUM HYDRIDES
MAGNETIC RESONANCE
MAGNETISM
MONOCRYSTALS
NUMERICAL DATA
PARAMAGNETISM
RADIATIONS
RESONANCE
RHODIUM IONS
ULTRAVIOLET RADIATION