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Simulation of Mn (II) EPR spectra using a full spin-Hamiltonian approach
1Department of Physiology and Biophysics of Yeshiva University, Albert Einstein College of Medicine, Bronx, New York 10461, USA.
Journal of Magnetic Resonance. Series B
|May 1, 1996
Abstract:
A full spin-Hamiltonian approach was used to calculate continuous-wave EPR spectra of Mn(II) complexes, and a comparison was made with spectra previously simulated by perturbation methods. Successful fits were performed using single values of the zero-field splitting parameter, D. The advantage of the new procedure is that it provides better fits where the magnetic field is not very large compared to zero-field splitting terms.