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Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C6H18N3]ClCoCl4

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Abstract

The crystal structure of [1-(2-aminoethyl) piperazinium] choride trachloridocobaltate (II): [C6H18N3] ClCoCl4 has been synthesized and analyzed by X-ray diffraction. Magnetization was used to investigate the magnetic properties. The salt crystallizes at room temperature in the monoclinic system with space group P21, the unit cell dimensions are: a=7.2113 Å, b=12.4844 Å, c=8.0554 Å, β=97.274∘ with Z = 2. The crystal structure of this salt was solved by Patterson methods and refined by full-matrix least squares on F 2 to final values of R=0.0361 and wR=0.0701. The structure consists of monomeric triprotonated [1-(2-aminoethyl) piperazinium] cations, monomeric \(\mathrm{CoCl}_{4}^{2-}\) and Cl− anions. These entities are interconnected by means of hydrogen bonding contacts forming a three-dimensional network. The magnetic measurements experimentally show a deviation from the Curie–Weiss law at low temperatures, which reveals the occurrence of weak ferromagnetism at low temperature. The measurements of isothermal magnetics at low temperature show a weak hysteresis, which was confirmed by the small coercive field found at low temperature. In addition, self-consistent ab initio calculations, based on FLAPW method (Wien2k code), are performed to investigate magnetic, electronic properties and crystal structure, of [1-(2-aminoethyl) piperazinium] choride trachloridocobaltate(II). Spins polarized within the framework of the Coherent Potential Approximation (CPA) are considered.

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Acknowledgements

This work, within the frame work of collaboration, is supported by: (1) The Tunisian Ministry of Higher Education and Scientific Research; for Science and Technology FCT) Project Tunisian-Portuguese. (2) The French Ministry of Higher Education and Scientific Research (project CMCU 1).

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Authors and Affiliations

  1. Laboratoire de Physique Appliquée, Faculté des Sciences, Université de Sfax, 3000, Sfax, Tunisia

    F. Issaoui & E. Dhahri

  2. Laboratoire des Sciences des Matériaux et d’Environnement, Faculté des Sciences, Université de Sfax, 3000, Sfax, Tunisia

    I. Baccar & F. Zouari

  3. Physics Department, Faculty of Science, Zagazig University, Zagazig, Egypt

    O. El Sadek

  4. Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042, Grenoble Cedex 9, France

    F. Issaoui & E. K. Hlil

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  1. F. Issaoui
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  4. O. El Sadek
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Correspondence to E. Dhahri.

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Issaoui, F., Baccar, I., Dhahri, E. et al. Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C6H18N3]ClCoCl4 . J Supercond Nov Magn 25, 1563–1570 (2012). https://doi.org/10.1007/s10948-012-1469-5

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  • DOI: https://doi.org/10.1007/s10948-012-1469-5

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