General theory of polycrystalline ENDOR patterns. g and hyperfine tensors of arbitrary symmetry and relative orientation

Journal Article (Journal Article)

A general formulation is presented for the ENDOR spectra of a randomly oriented, polycrystalline (powder) S = 1 2 paramagnet, assuming slow cross-relaxation, g anisotropy domination of the EPR spectrum, arbitrary symmetries and relative orientations of g and hyperfine tensors, and δ-function EPR and ENDOR component lineshapes. Calculations for simple, archetypical types of centers have been presented, as well as selected calculations showing the full generality of the method. In particular, at g values where the ENDOR spectra arise from multiple orientations of the paramagnet (powder-type spectra) it was found that the ENDOR shape functions, N(A)g, show two divergences and no steps when the g and A tensors are coaxial; noncoaxiality can introduce subsidiary maxima and can cause the occurrence of as many as four additional divergences. © 1984.

Full Text

Duke Authors

Cited Authors

  • Hoffman, BM; Martinsen, J; Venters, RA

Published Date

  • January 1, 1984

Published In

Volume / Issue

  • 59 / 1

Start / End Page

  • 110 - 123

International Standard Serial Number (ISSN)

  • 0022-2364

Digital Object Identifier (DOI)

  • 10.1016/0022-2364(84)90287-7

Citation Source

  • Scopus