CobaltMaghrebV1, PascalFrancis, Corpus, bibRecord, 000050

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

Identifieur interne : 000050 ( PascalFrancis/Corpus ); précédent : 000049; suivant : 000051

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

Auteurs : F. Issaoui ; I. Baccar ; E. Dhahri ; O. El Sadek ; F. Zouari ; E. K. Hlil

Source :

Journal of superconductivity and novel magnetism [ 1557-1939 ] ; 2012.

RBID : Pascal:12-0316337

Descripteurs français

Pascal (Inist)
- Structure cristalline, Densité état électron, Diffraction RX, Aimantation, Hystérésis magnétique, Liaison hydrogène, Méthode Patterson, Méthode moindre carré, Ordre magnétique, Dérivé d'azine, Ferromagnétisme faible, Complexe chloro, Complexe de cobalt.

English descriptors

KwdEn :
- Azine derivatives, Chloro complex, Cobalt complexes, Crystal structure, Electronic density of states, Hydrogen bonds, Least square fit, Magnetic hysteresis, Magnetic ordering, Magnetization, Patterson method, Weak ferromagnetism, XRD.

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 CoCl^2-₄ 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.

Notice en format standard (ISO 2709)

Pour connaître la documentation sur le format Inist Standard.

A01	`01`	`1`		`@0 1557-1939`
A03		`1`		`@0 J. supercond. nov. magn.`
A05				`@2 25`
A06				`@2 5`
A08	`01`	`1`	`ENG`	`@1 Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C₆H₁₈N₃]ClCoCl₄`
A11	`01`	`1`		`@1 ISSAOUI (F.)`
A11	`02`	`1`		`@1 BACCAR (I.)`
A11	`03`	`1`		`@1 DHAHRI (E.)`
A11	`04`	`1`		`@1 EL SADEK (O.)`
A11	`05`	`1`		`@1 ZOUARI (F.)`
A11	`06`	`1`		`@1 HLIL (E. K.)`
A14	`01`			`@1 Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax @2 3000 Sfax @3 TUN @Z 1 aut. @Z 3 aut.`
A14	`02`			`@1 Laboratoire des Sciences des Matériaux et d"Environnement, Faculté des Sciences, Universite de Sfax @2 3000 Sfax @3 TUN @Z 2 aut. @Z 5 aut.`
A14	`03`			`@1 Physics Department, Faculty of Science, Zagazig University @2 Zagazig @3 EGY @Z 4 aut.`
A14	`04`			`@1 Institut Néel, CNRS et Universite Joseph Fourier, BP 166 @2 38042 Grenoble @3 FRA @Z 1 aut. @Z 6 aut.`
A20				`@1 1563-1570`
A21				`@1 2012`
A23	`01`			`@0 ENG`
A43	`01`			`@1 INIST @2 21987 @5 354000506621630580`
A44				`@0 0000 @1 © 2012 INIST-CNRS. All rights reserved.`
A45				`@0 36 ref.`
A47	`01`	`1`		`@0 12-0316337`
A60				`@1 P`
A61				`@0 A`
A64	`01`	`1`		`@0 Journal of superconductivity and novel magnetism`
A66	`01`			`@0 USA`
C01	`01`		`ENG`	@0 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 CoCl^2-₄ 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.
C02	`01`	`3`		`@0 001B60A66F5`
C02	`02`	`3`		`@0 001B70E60E`
C03	`01`	`3`	`FRE`	`@0 Structure cristalline @5 02`
C03	`01`	`3`	`ENG`	`@0 Crystal structure @5 02`
C03	`02`	`3`	`FRE`	`@0 Densité état électron @5 03`
C03	`02`	`3`	`ENG`	`@0 Electronic density of states @5 03`
C03	`03`	`3`	`FRE`	`@0 Diffraction RX @5 04`
C03	`03`	`3`	`ENG`	`@0 XRD @5 04`
C03	`04`	`3`	`FRE`	`@0 Aimantation @5 05`
C03	`04`	`3`	`ENG`	`@0 Magnetization @5 05`
C03	`05`	`3`	`FRE`	`@0 Hystérésis magnétique @5 06`
C03	`05`	`3`	`ENG`	`@0 Magnetic hysteresis @5 06`
C03	`06`	`3`	`FRE`	`@0 Liaison hydrogène @5 07`
C03	`06`	`3`	`ENG`	`@0 Hydrogen bonds @5 07`
C03	`07`	`3`	`FRE`	`@0 Méthode Patterson @5 08`
C03	`07`	`3`	`ENG`	`@0 Patterson method @5 08`
C03	`08`	`3`	`FRE`	`@0 Méthode moindre carré @5 09`
C03	`08`	`3`	`ENG`	`@0 Least square fit @5 09`
C03	`09`	`3`	`FRE`	`@0 Ordre magnétique @5 10`
C03	`09`	`3`	`ENG`	`@0 Magnetic ordering @5 10`
C03	`10`	`X`	`FRE`	`@0 Dérivé d'azine @5 11`
C03	`10`	`X`	`ENG`	`@0 Azine derivatives @5 11`
C03	`10`	`X`	`SPA`	`@0 Azina derivado @5 11`
C03	`11`	`3`	`FRE`	`@0 Ferromagnétisme faible @5 12`
C03	`11`	`3`	`ENG`	`@0 Weak ferromagnetism @5 12`
C03	`12`	`X`	`FRE`	`@0 Complexe chloro @5 13`
C03	`12`	`X`	`ENG`	`@0 Chloro complex @5 13`
C03	`12`	`X`	`SPA`	`@0 Complejo cloro @5 13`
C03	`13`	`3`	`FRE`	`@0 Complexe de cobalt @2 NK @5 14`
C03	`13`	`3`	`ENG`	`@0 Cobalt complexes @2 NK @5 14`
N21				`@1 240`

Format Inist (serveur)

NO :	PASCAL 12-0316337 INIST
ET :	Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C₆H₁₈N₃]ClCoCl₄
AU :	ISSAOUI (F.); BACCAR (I.); DHAHRI (E.); EL SADEK (O.); ZOUARI (F.); HLIL (E. K.)
AF :	Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax/3000 Sfax/Tunisie (1 aut., 3 aut.); Laboratoire des Sciences des Matériaux et d"Environnement, Faculté des Sciences, Universite de Sfax/3000 Sfax/Tunisie (2 aut., 5 aut.); Physics Department, Faculty of Science, Zagazig University/Zagazig/Egypte (4 aut.); Institut Néel, CNRS et Universite Joseph Fourier, BP 166/38042 Grenoble/France (1 aut., 6 aut.)
DT :	Publication en série; Niveau analytique
SO :	Journal of superconductivity and novel magnetism; ISSN 1557-1939; Etats-Unis; Da. 2012; Vol. 25; No. 5; Pp. 1563-1570; Bibl. 36 ref.
LA :	Anglais
EA :	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 CoCl^2-₄ 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.
CC :	001B60A66F5; 001B70E60E
FD :	Structure cristalline; Densité état électron; Diffraction RX; Aimantation; Hystérésis magnétique; Liaison hydrogène; Méthode Patterson; Méthode moindre carré; Ordre magnétique; Dérivé d'azine; Ferromagnétisme faible; Complexe chloro; Complexe de cobalt
ED :	Crystal structure; Electronic density of states; XRD; Magnetization; Magnetic hysteresis; Hydrogen bonds; Patterson method; Least square fit; Magnetic ordering; Azine derivatives; Weak ferromagnetism; Chloro complex; Cobalt complexes
SD :	Azina derivado; Complejo cloro
LO :	INIST-21987.354000506621630580
ID :	12-0316337

Links to Exploration step

Pascal:12-0316337

Le document en format XML

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H<sub>18</sub>
N<sub>3</sub>
]ClCoCl<sub>4</sub>
</title>
<author><name sortKey="Issaoui, F" sort="Issaoui, F" uniqKey="Issaoui F" first="F." last="Issaoui">F. Issaoui</name>
<affiliation><inist:fA14 i1="01"><s1>Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax</s1>
<s2>3000 Sfax</s2>
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<author><name sortKey="Baccar, I" sort="Baccar, I" uniqKey="Baccar I" first="I." last="Baccar">I. Baccar</name>
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<author><name sortKey="Dhahri, E" sort="Dhahri, E" uniqKey="Dhahri E" first="E." last="Dhahri">E. Dhahri</name>
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<s2>3000 Sfax</s2>
<s3>TUN</s3>
<sZ>1 aut.</sZ>
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</inist:fA14>
</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>
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<author><name sortKey="Zouari, F" sort="Zouari, F" uniqKey="Zouari F" first="F." last="Zouari">F. Zouari</name>
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<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>
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<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>
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<fA11 i1="01" i2="1"><s1>ISSAOUI (F.)</s1>
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<fA14 i1="01"><s1>Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax</s1>
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<sZ>3 aut.</sZ>
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<sZ>5 aut.</sZ>
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<fA14 i1="03"><s1>Physics Department, Faculty of Science, Zagazig University</s1>
<s2>Zagazig</s2>
<s3>EGY</s3>
<sZ>4 aut.</sZ>
</fA14>
<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>
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<fA43 i1="01"><s1>INIST</s1>
<s2>21987</s2>
<s5>354000506621630580</s5>
</fA43>
<fA44><s0>0000</s0>
<s1>© 2012 INIST-CNRS. All rights reserved.</s1>
</fA44>
<fA45><s0>36 ref.</s0>
</fA45>
<fA47 i1="01" i2="1"><s0>12-0316337</s0>
</fA47>
<fA60><s1>P</s1>
</fA60>
<fA61><s0>A</s0>
</fA61>
<fA64 i1="01" i2="1"><s0>Journal of superconductivity and novel magnetism</s0>
</fA64>
<fA66 i1="01"><s0>USA</s0>
</fA66>
<fC01 i1="01" l="ENG"><s0>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.</s0>
</fC01>
<fC02 i1="01" i2="3"><s0>001B60A66F5</s0>
</fC02>
<fC02 i1="02" i2="3"><s0>001B70E60E</s0>
</fC02>
<fC03 i1="01" i2="3" l="FRE"><s0>Structure cristalline</s0>
<s5>02</s5>
</fC03>
<fC03 i1="01" i2="3" l="ENG"><s0>Crystal structure</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="3" l="FRE"><s0>Densité état électron</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="3" l="ENG"><s0>Electronic density of states</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="3" l="FRE"><s0>Diffraction RX</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="3" l="ENG"><s0>XRD</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="3" l="FRE"><s0>Aimantation</s0>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="3" l="ENG"><s0>Magnetization</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE"><s0>Hystérésis magnétique</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="3" l="ENG"><s0>Magnetic hysteresis</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE"><s0>Liaison hydrogène</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG"><s0>Hydrogen bonds</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE"><s0>Méthode Patterson</s0>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG"><s0>Patterson method</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE"><s0>Méthode moindre carré</s0>
<s5>09</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG"><s0>Least square fit</s0>
<s5>09</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE"><s0>Ordre magnétique</s0>
<s5>10</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG"><s0>Magnetic ordering</s0>
<s5>10</s5>
</fC03>
<fC03 i1="10" i2="X" l="FRE"><s0>Dérivé d'azine</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="ENG"><s0>Azine derivatives</s0>
<s5>11</s5>
</fC03>
<fC03 i1="10" i2="X" l="SPA"><s0>Azina derivado</s0>
<s5>11</s5>
</fC03>
<fC03 i1="11" i2="3" l="FRE"><s0>Ferromagnétisme faible</s0>
<s5>12</s5>
</fC03>
<fC03 i1="11" i2="3" l="ENG"><s0>Weak ferromagnetism</s0>
<s5>12</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE"><s0>Complexe chloro</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG"><s0>Chloro complex</s0>
<s5>13</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA"><s0>Complejo cloro</s0>
<s5>13</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE"><s0>Complexe de cobalt</s0>
<s2>NK</s2>
<s5>14</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG"><s0>Cobalt complexes</s0>
<s2>NK</s2>
<s5>14</s5>
</fC03>
<fN21><s1>240</s1>
</fN21>
</pA>
</standard>
<server><NO>PASCAL 12-0316337 INIST</NO>
<ET>Synthesis, Crystal Structure, Magnetism, Band Structure and Density of States of [C<sub>6</sub>
H<sub>18</sub>
N<sub>3</sub>
]ClCoCl<sub>4</sub>
</ET>
<AU>ISSAOUI (F.); BACCAR (I.); DHAHRI (E.); EL SADEK (O.); ZOUARI (F.); HLIL (E. K.)</AU>
<AF>Laboratoire de Physique Appliquée, Faculté des Sciences, Universite de Sfax/3000 Sfax/Tunisie (1 aut., 3 aut.); Laboratoire des Sciences des Matériaux et d"Environnement, Faculté des Sciences, Universite de Sfax/3000 Sfax/Tunisie (2 aut., 5 aut.); Physics Department, Faculty of Science, Zagazig University/Zagazig/Egypte (4 aut.); Institut Néel, CNRS et Universite Joseph Fourier, BP 166/38042 Grenoble/France (1 aut., 6 aut.)</AF>
<DT>Publication en série; Niveau analytique</DT>
<SO>Journal of superconductivity and novel magnetism; ISSN 1557-1939; Etats-Unis; Da. 2012; Vol. 25; No. 5; Pp. 1563-1570; Bibl. 36 ref.</SO>
<LA>Anglais</LA>
<EA>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.</EA>
<CC>001B60A66F5; 001B70E60E</CC>
<FD>Structure cristalline; Densité état électron; Diffraction RX; Aimantation; Hystérésis magnétique; Liaison hydrogène; Méthode Patterson; Méthode moindre carré; Ordre magnétique; Dérivé d'azine; Ferromagnétisme faible; Complexe chloro; Complexe de cobalt</FD>
<ED>Crystal structure; Electronic density of states; XRD; Magnetization; Magnetic hysteresis; Hydrogen bonds; Patterson method; Least square fit; Magnetic ordering; Azine derivatives; Weak ferromagnetism; Chloro complex; Cobalt complexes</ED>
<SD>Azina derivado; Complejo cloro</SD>
<LO>INIST-21987.354000506621630580</LO>
<ID>12-0316337</ID>
</server>
</inist>
</record>

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

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

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