Simulation of Mn(II) EPR Spectra Using a Full Spin-Hamiltonian Approach
✍ Scribed by Alan R. Coffino; Jack Peisach
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 213 KB
- Volume
- 111
- Category
- Article
- ISSN
- 1064-1866
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✦ Synopsis
A full spin-Hamiltonian approach was used to calculate continurelaxation of the five sets of electron transitions (3). Further ous-wave EPR spectra of Mn(II) complexes, and a comparison complications involve the presence of multiple species and/ was made with spectra previously simulated by perturbation methor the ZFS equivalent of g strain, also expected to result ods. Successful fits were performed using single values of the zeroin a differential broadening, often indistinguishable from field splitting parameter, D. The advantage of the new procedure differential relaxation. The assignment of ZFS parameters is that it provides better fits where the magnetic field is not very can therefore be a complicated task. The correct assignment large compared to zero-field splitting terms.