Metal-nitroxyl interactions VI. Analysis of EPR spectra of spin-labeled copper complexes

Spin-spin splittings are analyzed for two nonequivalent electron spins. The resulting equations are applied to the simulation of the EPR spectra of spin-labeled copper complexes exhibiting electron-electron coupling. The electron-electron coupling and z components of the electron-nuclear couplings a...

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Bibliographic Details
Published in:Journal of magnetic resonance (1969) 1978, Vol.32 (2), p.251-263
Main Authors: Eaton, S.S, DuBois, D.L, Eaton, G.R
Format: Article
Language:English
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Summary:Spin-spin splittings are analyzed for two nonequivalent electron spins. The resulting equations are applied to the simulation of the EPR spectra of spin-labeled copper complexes exhibiting electron-electron coupling. The electron-electron coupling and z components of the electron-nuclear couplings are treated exactly. The off-diagonal ( x, y) components due to electron-copper nuclear coupling are treated as a perturbation, to second order for the transition energies and first order for the transition probabilities. The field dependence of the energy separation, ( g 1 − g 2) βH, for the two electron spins is included. Calculated and observed spectra for a spin-labeled derivative of copper(II) bis(acetylacetonato)ethylenediamine are in good agreement.
ISSN:0022-2364
1557-8968
DOI:10.1016/0022-2364(78)90209-3