Crystal Structure, DSC and Raman Studies in [4-amino pyridinium]2TlCI5
Identifieur interne : 000116 ( 1957/Analysis ); précédent : 000115; suivant : 000117Crystal Structure, DSC and Raman Studies in [4-amino pyridinium]2TlCI5
Auteurs : Najla Chaari [Tunisie] ; Slaheddine Chaabouni [Tunisie] ; Ahmed Hadrich [Tunisie, France] ; Abdelhamid Ben Salah [Tunisie]Source :
- Annales Chimie Sciences Matériaux [ 0947-3580 ] ; 2007.
Abstract
The bis (4-amino pyridinium) pentachlorothallate (III) salt is orthorhombic with the following unit cell dimensions: a = 16.577(3)Å, b = 5.829(4)Å, c = 9.004(7)Å, space group P mn21 with Z = 2. The structure was solved by Patterson methods and refined to a final R value of 0.0563 for 2824 observed reflections. The structure consists of 4-amino pyridinium cations and square pyramids of TlCl5. The crystal network is stabilized by mean of hydrogen bonds connecting cations and anions forming a three-dimensional network. Differential scanning calorimetry revealed a transition at T = 371 K. The Raman studies of polycrystalline [C5H7N2]2 TlCl5 performed in the frequency region between 10 and 350 cm-1 showed that the vibrational state of the anion changes around the phase transition point. The transition is of order-disorder type involving mainly orientational changes of the organic group [4-amino PyH] coupled with a distortion of the TlCl5 tetragonal pyramids. This behaviour and the crystal dynamics will be discussed and compared with those found in the littérature for homologous compounds.
Le bis (4-amino pyridinium) pentachlorothallate (III) cristallise dans le système orthorhombique de groupe d’espace P mn21, avec les paramètres de maille suivants : a = 16,577(3)Å, b = 5,829(4)Å, c = 9,004(7)Å et Z = 2. La structure est constituée de cations 4-amino pyridinium et de pyramides à bases carrées de TlCl5 ; la structure est stabilisée par des liaisons hydrogènes reliant les anions et les cations et formant un réseau tridimensionnel. Une mesure enthalpique différentielle révèle une transition de phases à la température T = 371 K. Des études Raman du composé effectuées dans la gamme de fréquence de 10 à 350 cm-1 montrent que l’état vibrationnel de fanion change de part et d’autre de la température de transition. La transition est du type ordre-désordre faisant intervenir des changements orientationnels du groupement organique associés à une distorsion des pyramides à bases carrées. Ce comportement et la dynamique cristalline sont discutés et comparés avec ceux trouvés dans la littérature pour des composés homologues.
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DOI: 10.3166/acsm.32.531-542
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Chim. Sci. Mat.</title><idno type="ISSN">0947-3580</idno><idno type="eISSN">1958-5934</idno><imprint><publisher>Lavoisier</publisher><date type="published" when="2007-09">2007</date><biblScope unit="vol">32</biblScope><biblScope unit="issue">5</biblScope><biblScope unit="page" from="531">531</biblScope><biblScope unit="page" to="542">542</biblScope><biblScope unit="page-count">12</biblScope><biblScope unit="ref-count">0</biblScope><biblScope unit="fig-count">0</biblScope><biblScope unit="table-count">0</biblScope></imprint><idno type="ISSN">0947-3580</idno></series></biblStruct></sourceDesc><seriesStmt><idno type="ISSN">0947-3580</idno></seriesStmt></fileDesc><profileDesc><textClass></textClass></profileDesc></teiHeader><front><div type="abstract" xml:lang="en">The bis (4-amino pyridinium) pentachlorothallate (III) salt is orthorhombic with the following unit cell dimensions: a = 16.577(3)Å, b = 5.829(4)Å, c = 9.004(7)Å, space group P mn21 with Z = 2. The structure was solved by Patterson methods and refined to a final R value of 0.0563 for 2824 observed reflections. The structure consists of 4-amino pyridinium cations and square pyramids of TlCl5. The crystal network is stabilized by mean of hydrogen bonds connecting cations and anions forming a three-dimensional network. Differential scanning calorimetry revealed a transition at T = 371 K. The Raman studies of polycrystalline [C5H7N2]2 TlCl5 performed in the frequency region between 10 and 350 cm-1 showed that the vibrational state of the anion changes around the phase transition point. The transition is of order-disorder type involving mainly orientational changes of the organic group [4-amino PyH] coupled with a distortion of the TlCl5 tetragonal pyramids. This behaviour and the crystal dynamics will be discussed and compared with those found in the littérature for homologous compounds.</div><div type="abstract" xml:lang="fr">Le bis (4-amino pyridinium) pentachlorothallate (III) cristallise dans le système orthorhombique de groupe d’espace P mn21, avec les paramètres de maille suivants : a = 16,577(3)Å, b = 5,829(4)Å, c = 9,004(7)Å et Z = 2. La structure est constituée de cations 4-amino pyridinium et de pyramides à bases carrées de TlCl5 ; la structure est stabilisée par des liaisons hydrogènes reliant les anions et les cations et formant un réseau tridimensionnel. Une mesure enthalpique différentielle révèle une transition de phases à la température T = 371 K. Des études Raman du composé effectuées dans la gamme de fréquence de 10 à 350 cm-1 montrent que l’état vibrationnel de fanion change de part et d’autre de la température de transition. La transition est du type ordre-désordre faisant intervenir des changements orientationnels du groupement organique associés à une distorsion des pyramides à bases carrées. Ce comportement et la dynamique cristalline sont discutés et comparés avec ceux trouvés dans la littérature pour des composés homologues.</div></front></TEI><affiliations><list><country><li>France</li><li>Tunisie</li></country><region><li>Île-de-France</li></region><settlement><li>Thiais</li></settlement></list><tree><country name="Tunisie"><noRegion><name sortKey="Chaari, Najla" sort="Chaari, Najla" uniqKey="Chaari N" first="Najla" last="Chaari">Najla Chaari</name></noRegion><name sortKey="Ben Salah, Abdelhamid" sort="Ben Salah, Abdelhamid" uniqKey="Ben Salah A" first="Abdelhamid" last="Ben Salah">Abdelhamid Ben Salah</name><name sortKey="Chaabouni, Slaheddine" sort="Chaabouni, Slaheddine" uniqKey="Chaabouni S" first="Slaheddine" last="Chaabouni">Slaheddine Chaabouni</name><name sortKey="Hadrich, Ahmed" sort="Hadrich, Ahmed" uniqKey="Hadrich A" first="Ahmed" last="Hadrich">Ahmed Hadrich</name></country><country name="France"><region name="Île-de-France"><name sortKey="Hadrich, Ahmed" sort="Hadrich, Ahmed" uniqKey="Hadrich A" first="Ahmed" last="Hadrich">Ahmed Hadrich</name></region></country></tree></affiliations></record>Pour manipuler ce document sous Unix (Dilib)
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