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| - Hyperfine Sublevel Correlation (HYSCORE) Spectra for Paramagnetic Centers withNuclear Spin I = 1 Having Isotropic Hyperfine Interactions
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| Abstract
| - Hyperfine sublevel correlation (HYSCORE) spectra of paramagnetic centers that have nuclei with nuclearspin I = 1 and isotropic hyperfine interactions (HFIs) and arbitrary nuclear quadrupole interactions (NQIs)are shown to consist of ridges that have zero width. A parametric presentation of these ridges is suggestedthat shows the range of possible frequencies in the HYSCORE spectrum and aids in spectral assignments andrapid estimation of spin Hamiltonian parameters. An alternative approach for the spectral density calculationis presented. This methodology is based on spectral decomposition of the Hamiltonian and requires only theeigenvalues. An atlas of HYSCORE spectra is given in the Supporting Information for this paper. This approachis applied to the estimation of the spin Hamiltonian parameters of the oxovanadium−EDTA complex.
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