1977
DOI: 10.1063/1.435372
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EPR spectrum of BiF6=

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Cited by 8 publications
(3 citation statements)
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“…However, the A values correspond to only an occupation of ϳ25% of the 6s orbital, 15 as was derived from comparison with calculated values 29 of the hf interaction in atomic bismuth, A 6s = 77 GHz. ͑A case of localization near 50%, with A = 36.02 GHz, has been reported 30 for Bi 4+ in CsAsF 6 .͒ In the present case, up to ϳ75% of the hole is thought to be spread over the surrounding ions, which are the four nearestneighbor O 2− forming a tetrahedron and around them shells of substitutional Bi 3+ ions. If some degree of delocalization over the bismuth neighbors is assumed, this should lead to an unresolved hf broadening of the EPR lines due to spin density in the 6s orbital of these ions.…”
supporting
confidence: 49%
“…However, the A values correspond to only an occupation of ϳ25% of the 6s orbital, 15 as was derived from comparison with calculated values 29 of the hf interaction in atomic bismuth, A 6s = 77 GHz. ͑A case of localization near 50%, with A = 36.02 GHz, has been reported 30 for Bi 4+ in CsAsF 6 .͒ In the present case, up to ϳ75% of the hole is thought to be spread over the surrounding ions, which are the four nearestneighbor O 2− forming a tetrahedron and around them shells of substitutional Bi 3+ ions. If some degree of delocalization over the bismuth neighbors is assumed, this should lead to an unresolved hf broadening of the EPR lines due to spin density in the 6s orbital of these ions.…”
supporting
confidence: 49%
“…As one can see, the simulated two 209 Bi HF structure components perfectly correspond to the experimentally detected resonances. However, these spin‐Hamiltonian parameters are completely inconsistent with the theoretically predicted values g ≈ 2 and Fermi contact term a = 77530 MHz as well as with previously reported g = 2.0134, and A = 36020 MHz determined for the Bi 4+ in CsAsF 6 . According to the data in Ref.…”
Section: Resultscontrasting
confidence: 80%
“…[92], where Bi 4þ centers were found in sillenite crystals, the HF constants obtained were approximately two times smaller as compared to Ref. [91]. Taking into account such a great variation (2-4 times) among HF constant values discussed above, one may conclude the strong dependence on the ligand surroundings where the Bi center is placed.…”
Section: Bi 4þmentioning
confidence: 61%