Multifrequency ESR of an Isotopically Enriched Copper System in the Immobilized Phase: A Monte Carlo Approach
Often the only ESR parameters reported from the spectrum of an immobilized copper complex are g‖ and A‖Cu and the presence or absence of nitrogen hyperfine lines. Here, experimental ESR spectra are used to show the improvement in resolution if a single isotope of copper, 63Cu or 65Cu, and 15N donor atoms are incorporated into the complex. The second derivative spectrum enhances the resolution of the nitrogen hyperfine structure. The Fourier transform of the ESR spectrum separates peaks for hyperfine lines with large couplings from lines with small couplings. Multifrequency spectra and their simulations lead to a full set of ESR parameters which include g-values, A-values, line widths, line positions, and strain parameters.
KeywordsDerivative Spectrum Strain Parameter Hyperfine Coupling Constant Hyperfine Line Single Isotope
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