Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C6H18N3]ClCoCl4
Identifieur interne : 000442 ( Main/Exploration ); précédent : 000441; suivant : 000443Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C6H18N3]ClCoCl4
Auteurs : F. Issaoui [Tunisie, France] ; I. Baccar [Tunisie] ; E. Dhahri [Tunisie] ; O. El Sadek [Égypte] ; F. Zouari [Tunisie] ; E. K. Hlil [France]Source :
- Journal of superconductivity and novel magnetism [ 1557-1939 ] ; 2012.
Descripteurs français
- Pascal (Inist)
English descriptors
- KwdEn :
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 F2 to final values of R = 0.0361 and w R = 0.0701. The structure consists of monomeric triprotonated [1-(2-aminoethyl) piperazinium] cations, monomeric CoCl2-4 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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Issaoui</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax</s1><s2>3000 Sfax</s2><s3>TUN</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country>Tunisie</country><wicri:noRegion>3000 Sfax</wicri:noRegion></affiliation><affiliation wicri:level="3"><inist:fA14 i1="04"><s1>Institut Néel, CNRS et Universite Joseph Fourier, BP 166</s1><s2>38042 Grenoble</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Auvergne-Rhône-Alpes</region><region type="old region" nuts="2">Rhône-Alpes</region><settlement type="city">Grenoble</settlement></placeName></affiliation></author><author><name sortKey="Baccar, I" sort="Baccar, I" uniqKey="Baccar I" first="I." last="Baccar">I. Baccar</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Laboratoire des Sciences des Matériaux et d"Environnement, Faculté des Sciences, Universite de Sfax</s1><s2>3000 Sfax</s2><s3>TUN</s3><sZ>2 aut.</sZ><sZ>5 aut.</sZ></inist:fA14><country>Tunisie</country><wicri:noRegion>3000 Sfax</wicri:noRegion></affiliation></author><author><name sortKey="Dhahri, E" sort="Dhahri, E" uniqKey="Dhahri E" first="E." last="Dhahri">E. Dhahri</name><affiliation wicri:level="1"><inist:fA14 i1="01"><s1>Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax</s1><s2>3000 Sfax</s2><s3>TUN</s3><sZ>1 aut.</sZ><sZ>3 aut.</sZ></inist:fA14><country>Tunisie</country><wicri:noRegion>3000 Sfax</wicri:noRegion></affiliation></author><author><name sortKey="El Sadek, O" sort="El Sadek, O" uniqKey="El Sadek O" first="O." last="El Sadek">O. El Sadek</name><affiliation wicri:level="1"><inist:fA14 i1="03"><s1>Physics Department, Faculty of Science, Zagazig University</s1><s2>Zagazig</s2><s3>EGY</s3><sZ>4 aut.</sZ></inist:fA14><country>Égypte</country><wicri:noRegion>Zagazig</wicri:noRegion></affiliation></author><author><name sortKey="Zouari, F" sort="Zouari, F" uniqKey="Zouari F" first="F." last="Zouari">F. Zouari</name><affiliation wicri:level="1"><inist:fA14 i1="02"><s1>Laboratoire des Sciences des Matériaux et d"Environnement, Faculté des Sciences, Universite de Sfax</s1><s2>3000 Sfax</s2><s3>TUN</s3><sZ>2 aut.</sZ><sZ>5 aut.</sZ></inist:fA14><country>Tunisie</country><wicri:noRegion>3000 Sfax</wicri:noRegion></affiliation></author><author><name sortKey="Hlil, E K" sort="Hlil, E K" uniqKey="Hlil E" first="E. K." last="Hlil">E. K. Hlil</name><affiliation wicri:level="3"><inist:fA14 i1="04"><s1>Institut Néel, CNRS et Universite Joseph Fourier, BP 166</s1><s2>38042 Grenoble</s2><s3>FRA</s3><sZ>1 aut.</sZ><sZ>6 aut.</sZ></inist:fA14><country>France</country><placeName><region type="region" nuts="2">Auvergne-Rhône-Alpes</region><region type="old region" nuts="2">Rhône-Alpes</region><settlement type="city">Grenoble</settlement></placeName></affiliation></author></analytic><series><title level="j" type="main">Journal of superconductivity and novel magnetism</title><title level="j" type="abbreviated">J. supercond. nov. magn.</title><idno type="ISSN">1557-1939</idno><imprint><date when="2012">2012</date></imprint></series></biblStruct></sourceDesc><seriesStmt><title level="j" type="main">Journal of superconductivity and novel magnetism</title><title level="j" type="abbreviated">J. supercond. nov. magn.</title><idno type="ISSN">1557-1939</idno></seriesStmt></fileDesc><profileDesc><textClass><keywords scheme="KwdEn" xml:lang="en"><term>Azine derivatives</term><term>Chloro complex</term><term>Cobalt complexes</term><term>Crystal structure</term><term>Electronic density of states</term><term>Hydrogen bonds</term><term>Least square fit</term><term>Magnetic hysteresis</term><term>Magnetic ordering</term><term>Magnetization</term><term>Patterson method</term><term>Weak ferromagnetism</term><term>XRD</term></keywords><keywords scheme="Pascal" xml:lang="fr"><term>Structure cristalline</term><term>Densité état électron</term><term>Diffraction RX</term><term>Aimantation</term><term>Hystérésis magnétique</term><term>Liaison hydrogène</term><term>Méthode Patterson</term><term>Méthode moindre carré</term><term>Ordre magnétique</term><term>Dérivé d'azine</term><term>Ferromagnétisme faible</term><term>Complexe chloro</term><term>Complexe de cobalt</term></keywords></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The crystal structure of [1-(2-aminoethyl) piperazinium] choride trachloridocobaltate (II): [C<sub>6</sub>H<sub>18</sub>N<sub>3</sub>] ClCoCl<sub>4</sub> 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 P2<sub>1</sub>, 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<sup>2</sup> to final values of R = 0.0361 and w R = 0.0701. The structure consists of monomeric triprotonated [1-(2-aminoethyl) piperazinium] cations, monomeric CoCl<sup>2-</sup><sub>4</sub> and Cl<sup>-</sup> 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.</div></front></TEI><affiliations><list><country><li>France</li><li>Tunisie</li><li>Égypte</li></country><region><li>Auvergne-Rhône-Alpes</li><li>Rhône-Alpes</li></region><settlement><li>Grenoble</li></settlement></list><tree><country name="Tunisie"><noRegion><name sortKey="Issaoui, F" sort="Issaoui, F" uniqKey="Issaoui F" first="F." last="Issaoui">F. Issaoui</name></noRegion><name sortKey="Baccar, I" sort="Baccar, I" uniqKey="Baccar I" first="I." last="Baccar">I. Baccar</name><name sortKey="Dhahri, E" sort="Dhahri, E" uniqKey="Dhahri E" first="E." last="Dhahri">E. Dhahri</name><name sortKey="Zouari, F" sort="Zouari, F" uniqKey="Zouari F" first="F." last="Zouari">F. Zouari</name></country><country name="France"><region name="Auvergne-Rhône-Alpes"><name sortKey="Issaoui, F" sort="Issaoui, F" uniqKey="Issaoui F" first="F." last="Issaoui">F. Issaoui</name></region><name sortKey="Hlil, E K" sort="Hlil, E K" uniqKey="Hlil E" first="E. K." last="Hlil">E. K. Hlil</name></country><country name="Égypte"><noRegion><name sortKey="El Sadek, O" sort="El Sadek, O" uniqKey="El Sadek O" first="O." last="El Sadek">O. El Sadek</name></noRegion></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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