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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Neugebauer, Petr Trávnícek, Zdenek Nemec, Ivan Marx, Raphael Van Slageren, Joris Herchel, Radovan |
| Description | Author Affiliation: Nemec I ( Regional Centre of Advanced Technologies and Materials, Department of Inorganic Chemistry, Faculty of Science, Palacký University, 17. listopadu 12, CZ-771 46 Olomouc, Czech Republic. zdenek.travnicek@upol.cz.) |
| Abstract | The static and dynamic magnetic properties of a pentacoordinate $[Co(phen)(DMSO)Cl_{2}]$ compound (phen = 1,10′-phenanthroline, DMSO = dimethyl sulfoxide) were thoroughly studied by experimental (SQUID magnetometry and HF-EPR spectroscopy) and theoretical methods (DFT and CASSCF calculations). It has been found from temperature/field-dependent magnetization measurements that the studied compound possesses a large and negative magnetic anisotropy (D = −17(1) $cm^{−1})$ with large rhombicity (E/D = 0.24(5)), and these experimental results are in agreement with ab initio calculations (D = −17.7 $cm^{−1},$ E/D = 0.31). Interdoublet resonances were not observed in the HF-EPR measurements, but the large rhombicity was confirmed $(D_{EPR}$ = −17.7 $cm^{−1}$ (fixed from CASSCF calculations), $E/D_{EPR}$ = 0.33). A frequency dependent out-of-phase susceptibility signal was observed only in a non-zero static magnetic field (B = 0.1 T) and the following parameters of slow-relaxation of magnetisation were derived from the experimental data: either the energy of spin reversal barrier, $U_{eff}$ = 10.4 K, and the relaxation time, $τ_{0}$ = 5.69 × $10^{−9}$ s using the Debye model, or $U_{eff}$ = 21.4–40.3 K and $τ_{0}$ = 0.248–58.3 × $10^{−9}$ based on a simplified model. |
| ISSN | 14779226 |
| Issue Number | 33 |
| Journal | Dalton Trans. |
| Volume Number | 44 |
| e-ISSN | 13645447 |
| Language | English |
| Publisher | Royal Society of Chemistry |
| Publisher Date | 2015-09-07 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | Subscribed |
| Subject Keyword | Chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Inorganic Chemistry |
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