Abstract
Low-frequency electron paramagnetic resonance (EPR) is used to extract the EPR parameter A-mid and support the approximate X-band value of g-mid for Ba(CoyZn1/3−yTa2/3)O3. Although the cobalt hyperfine structure for the |±1/2〉 state is often unresolved at X-band or S-band, it is resolved in measurements on this compound. This allows for detailed analysis of the molecular orbital for the |±1/2〉 state, which is often the ground state. Moreover, this work shows that the EPR parameters for Co substituted into Zn compounds give important insight into the properties of zinc binding sites.
Highlights
The electron paramagnetic resonance (EPR) parameters of high-spin cobalt(II) (Co2+) complexes in small molecules and enzymes consist of g-values, zero field splitting parameters D and E/D, and sometimes resolution of the Co hyperfine for the | ± 3/2 doublet; most often, they do not include resolution of the Co hyperfine for the | ± 1/2 doublet [1,2,3]
To the best of our knowledge, this is the first paper to show that the hyperfine lines for high-spin Co for the Co site in Co-doped barium zinc tantalite (BZT) (i.e., Ba(Zn1/3Ta2/3)O3) are resolved for the | ± 1/2 doublet at low frequencies
It is anticipated that recording hyperfine values due to the better resolution at low frequency along with a more accurate determination of the geff-mid value would lead to the classification of types of cobalt sites and to identification of nitrogen, oxygen, and sulfur donor atoms, as is done for cupric sites [5]
Summary
The electron paramagnetic resonance (EPR) parameters of high-spin cobalt(II) (Co2+) complexes in small molecules and enzymes consist of g-values, zero field splitting parameters D and E/D, and sometimes resolution of the Co hyperfine for the | ± 3/2 doublet; most often, they do not include resolution of the Co hyperfine for the | ± 1/2 doublet [1,2,3]. To the best of our knowledge, this is the first paper to show that the hyperfine lines for high-spin Co for the Co site in Co-doped barium zinc tantalite (BZT) (i.e., Ba(Zn1/3Ta2/3)O3) are resolved for the | ± 1/2 doublet at low frequencies. A-mid for Co could be used to characterize zinc (Zn) sites, where Co is substituted for Zn
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