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Two-dimensional hyperfine sublevel correlation spectroscopy: powder features for S=1/2, I=1.

Alexander G Maryasov·Michael K Bowman
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Abstract

The lineshapes of two-dimensional magnetic resonance spectra of disordered or partially ordered solids are dominated by ridges of singularities in the frequency plane. The positions of these ridges are described by a branch of mathematics known as catastrophe theory concerning the mapping of one 2D surface onto another. We systematically consider the characteristics of HYSCORE spectra for paramagnetic centers having electron spin S=1/2 and nuclear spin I=1 in terms of singularities using an exact solution of the nuclear spin Hamiltonian. The lineshape characteristics are considered for several general cases: zero nuclear quadrupole coupling; isotropic hyperfine but arbitrary nuclear quadrupole couplings; coincident principal axes for the nuclear hyperfine and quadrupole tensors; and the general case of arbitrary nuclear quadrupole and hyperfine tensors. The patterns of singularities in the HYSCORE spectra are described for each case.

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AlgorithmsAnisotropyElectron Spin Resonance SpectroscopyModels, TheoreticalJournal ArticleResearch Support, N.I.H., ExtramuralResearch Support, Non-U.S. Gov't

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Alexander G Maryasov, Michael K Bowman. 2005-12-07. Two-dimensional hyperfine sublevel correlation spectroscopy: powder features for S=1/2, I=1.. https://doi.org/10.1016/j.jmr.2005.11.013

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