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Materials 2017, 10(3), 249;

Magnetic Anisotropy and Field‐induced Slow  Relaxation of Magnetization in Tetracoordinate CoII Compound [Co(CH3‐im)2Cl2]

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
Institute of Physical Chemistry, University of Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart, Germany
Author to whom correspondence should be addressed.
Academic Editor: Sofoklis Makridis
Received: 13 January 2017 / Accepted: 27 February 2017 / Published: 28 February 2017
(This article belongs to the Special Issue Advances in Molecular Magnets and related Phenomena)
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Static and dynamic magnetic properties of the tetracoordinate CoII complex [Co(CH3‐im)2Cl2], (1, CH3‐im = N‐methyl‐imidazole), studied using thorough analyses of magnetometry, and High‐Frequency and ‐Field EPR (HFEPR) measurements, are reported. The study was supported by ab initio complete active space self‐consistent field (CASSCF) calculations. It has been revealed that 1 possesses a large magnetic anisotropy with a large rhombicity (magnetometry: D = −13.5 cm−1, E/D = 0.33; HFEPR: D = −14.5(1) cm−1, E/D = 0.16(1)). These experimental results agree well with the theoretical calculations (D = −11.2 cm−1, E/D = 0.18). Furthermore, it has been revealed that 1 behaves as a field‐induced single‐ion magnet with a relatively large spin‐reversal barrier (Ueff = 33.5 K). The influence of the Cl–Co–Cl angle on magnetic anisotropy parameters was evaluated using the CASSCF calculations. View Full-Text
Keywords: slow‐relaxation of magnetization; tetracoordinate CoII; single ion magnet; magnetic  anisotropy slow‐relaxation of magnetization; tetracoordinate CoII; single ion magnet; magnetic  anisotropy

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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

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Nemec, I.; Herchel, R.; Kern, M.; Neugebauer, P.; van Slageren, J.; Trávníček, Z. Magnetic Anisotropy and Field‐induced Slow  Relaxation of Magnetization in Tetracoordinate CoII Compound [Co(CH3‐im)2Cl2]. Materials 2017, 10, 249.

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