Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S =5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters.
The Zero Field Splitting (ZFS) parameters of the mononuclear Mn(II) (S = 5/2) compd. [Mn(Ac4Ph)2], where HAc4Ph stands for 4-phenyl-2-acetylpyridine thiosemicarbazone, are detd. by dual mode X-band and high field/high frequency ESR spectroscopy. D. functional theory (DFT) calcns. reproduce both the sign and abs. value of the axial parameter D of the ZFS tensor, whose distribution is quant. correlated to distribution on geometrical elements of the complex. [on SciFinder(R)]
Références
- Titre
- Multifrequency electron paramagnetic resonance and theoretical studies of a Mn(II) (S =5/2) complex: The role of geometrical elements on the Zero Field Splitting parameters.
- Type de publication
- Article de revue
- Année de publication
- 2009
- Auteurs
- Tzima, Theodora D., Sioros George, Duboc Carole, Kovala-Demertzi Demetra, Melissas Vasilios S., and Sanakis Yiannis.
- Revue
- Polyhedron
- Volume
- 28
- Pagination
- 3257–3264
- ISSN
- 0277-5387
Soumis le 12 avril 2018