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ESR study of an x-ray irradiated Ph/sub 3/AsF/sub 2/ single crystal

Journal Article · · J. Chem. Phys.; (United States)
OSTI ID:5507698

X-irradiation of Ph/sub 3/AsF/sub 2/ single crystals produces a radical exhibiting hyperfine coupling with one /sup 75/As nucleus and two /sup 19/F nuclei. The three hyperfine tensors are determined and show that the unpaired electron is delocalized in 4s (17%) and 4p (55%) arsenic orbitals and in a 2p (approx.12%) orbital of each fluorine atom. The ESR parameters are consistent with either Ph/sub 2/AsF/sub 2/ or Ph/sub 3/AsF/sup -//sub 2/ but theoretical estimates of the geometry of these two species together with the experimental angle of 135/sup 0/ between the principal axes of the two fluorine hyperfine coupling tensors are more in accord with the structure Ph/sub 3/AsF/sup -//sub 2/.

Research Organization:
Department of Chemical Physics, University of Geneva, 30, quai Ernest-Ansermet, 1211 Geneva, Switzerland
OSTI ID:
5507698
Journal Information:
J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 76:11; ISSN JCPSA
Country of Publication:
United States
Language:
English