A computer-based analytical study is presented of the sensitivity of EPR spectra from square-planar copper complexes to the input parameters in the spin Hamiltonian as a function of rotational correlation time and microwave frequency. X band is found to be a good choice of microwave frequency using either χ2 or the modulus integrated over the spectrum. Universal curves are presented that permit relating parameter sensitivities over a wide range of experimental conditions. The study develops techniques for computer analysis of multifrequency EPR spectra (109 to 1011 Hz) to find values for the magnetic and motional properties with minimum uncertainty.
Hyde, J.S., PASENKIEWICZ GIERULA, M., Basosi, R., Froncisz, W., Antholine, W.E. (1989). Sensitivity analysis for liquid-phase multifrequency EPR spectra of Cu2+ square-planar complexes. JOURNAL OF MAGNETIC RESONANCE, 82(1), 63-75 [10.1016/0022-2364(89)90165-0].
Sensitivity analysis for liquid-phase multifrequency EPR spectra of Cu2+ square-planar complexes
Basosi, Riccardo;
1989-01-01
Abstract
A computer-based analytical study is presented of the sensitivity of EPR spectra from square-planar copper complexes to the input parameters in the spin Hamiltonian as a function of rotational correlation time and microwave frequency. X band is found to be a good choice of microwave frequency using either χ2 or the modulus integrated over the spectrum. Universal curves are presented that permit relating parameter sensitivities over a wide range of experimental conditions. The study develops techniques for computer analysis of multifrequency EPR spectra (109 to 1011 Hz) to find values for the magnetic and motional properties with minimum uncertainty.
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https://hdl.handle.net/11365/17071
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