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Effects of small distortions on the EPR of the GAMMA/sub 6/ state (T/sub d/ symmetry) of Np(BH/sub 3/CH/sub 3/)/sub 4/ diluted in Zr(BH/sub 3/CH/sub 3/)/sub 4/

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:7025975
The single crystal and powder EPR spectra of /sup 237/Np(BH/sub 3/CH/sub 3/)/sub 4/ diluted in Zr(BH/sub 3/CH/sub 3/)/sub 4/ are reported and interpreted in terms of an orthorhombic spin Hamiltonian with g/sub x/ = 1.7739(4), g/sub y/ = 1.8292(4), g/sub z/ = 1.7961(5), A/sub x/ = 0.1079(2) cm/sup -1/, A/sub y/ = 0.1153(2) cm/sup -1/, A/sub z/ = 0.1135(2) cm/sup -1/. A modified point charge calculation indicates qualitatively that very small deviations of the site symmetry from T/sub d/ are enough to account for the observed splitting of the g values.
Research Organization:
Materials and Molecular Research Division, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720
OSTI ID:
7025975
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 80:12; ISSN JCPSA
Country of Publication:
United States
Language:
English