EPR spectrum of SF/sub 3/ trapped in SF/sub 3/BF/sub 4/ crystals
An anisotropic EPR spectrum observed in ..gamma..-irradiated single crystals of SF/sup +//sub 3/BF/sup -//sub 4/ is ascribed to the radical SF/sub 3/. Each of the two magnetically distinct sites exhibited hyperfine interactions with four /sup 19/F nuclei, one of which is associated with a near-neighbor lattice nucleus. The angular dependence of the spectrum has been explored in the principal crystallographic planes and the principal values and directions of the g and hyperfine tensors determined. These results taken in conjunction with crystallographic data for the undamaged crystal lead to the conclusions that (i) SF/sub 3/ is a planar radical, having only two equivalent fluorines; (ii) its electronic ground state is /sup 2/A/sub 1/ in C/sub 2v/; and (iii) its SOMO consists primarily of a combination of in-plane S (3p) and F(2p) atomic orbitals.
- Research Organization:
- Division of Chemistry, National Research Council of Canada, Ottawa, Canada K1A 0R9
- OSTI ID:
- 6740785
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 69:4; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
Similar Records
ESR spectra and structure of the perchloryl fluoride radical anion (FC1O/sub 3//sup -/): A 33 valence electron radical with C/sub 30/ symmetry
Statistical treatment of EPR data: The spectrum of IO/sub 2/ in KIO/sub 2/F/sub 2/ single crystals
Related Subjects
400600* -- Radiation Chemistry
BORON COMPOUNDS
BORON FLUORIDES
CHEMICAL RADIATION EFFECTS
CHEMICAL REACTIONS
CHEMISTRY
DECOMPOSITION
ELECTROMAGNETIC RADIATION
ELECTRON SPIN RESONANCE
FLUORIDES
FLUORINE COMPOUNDS
GAMMA RADIATION
HALIDES
HALOGEN COMPOUNDS
IONIZING RADIATIONS
MAGNETIC RESONANCE
RADIATION CHEMISTRY
RADIATION EFFECTS
RADIATIONS
RADICALS
RADIOLYSIS
RESONANCE
SULFUR COMPOUNDS
SULFUR FLUORIDES