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Structural, vibrational and dielectric properties of the new Li-doped material [Li0.08(NH4)0.92]2TeCl4Br2

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Title: Structural, vibrational and dielectric properties of the new Li-doped material [Li0.08(NH4)0.92]2TeCl4Br2
Authors: Ben Aribia, W.1, Abdelmouleh, M.1, Karray, R.1, Van Der Lee, A.2, Kabadou, A.1 ahlemkabadou@yahoo.fr, Ben Salah, A.1
Source: Journal of Molecular Structure. Feb2011, Vol. 986 Issue 1-3, p86-91. 6p.
Subjects: Molecular structure, Dielectrics, Vibration (Mechanics), Lithium isotopes, Doped semiconductors, Temperature effect, Hydrogen bonding, Raman spectroscopy, Phase transitions, Impedance spectroscopy
Abstract: Abstract: The crystal structure of the new Li-doped material [Li0.08(NH4)0.92]2TeCl4Br2, has been determined by X-ray single crystal analysis at room temperature. The title compound crystallizes in the tetragonal space group P4/mnc, with a lattice parameters a =7.3269(3)Å and c =10.3916(5)Å, Z =2. The structure of [Li0.08(NH4)0.92]2TeCl4Br2 consists of isolated TeCl4Br2 octahedra slightly deformed in c-direction. These octahedra show a slightly rotation around the fourfold axis against the cubic arrangement of the K2PtCl6 type structure. The monovalent cations are located between the octahedra ensuring the stability of the structure by ionic and hydrogen bonding contacts: Li⋯Cl/Br and N–H⋯Cl/Br. Three endothermic peaks in thermal behavior were detected for this compound at 350K, 419K and 558K, by DSC experiment. The first transition was confirmed by Raman spectroscopic and IR studies. Hydrogen bonding, the nature and the degree of structure (dis)order and the mechanisms of the transitions are discussed. The dielectric constant at different frequencies and temperatures revealed a phase transition at 350K related to reorientation and H+ diffusion. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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DbLabel: Engineering Source
An: 57374190
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  Data: Structural, vibrational and dielectric properties of the new Li-doped material [Li<subscript>0.08</subscript>(NH<subscript>4</subscript>)<subscript>0.92</subscript>]<subscript>2</subscript>TeCl<subscript>4</subscript>Br<subscript>2</subscript>
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  Data: <searchLink fieldCode="AR" term="%22Ben+Aribia%2C+W%2E%22">Ben Aribia, W.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Abdelmouleh%2C+M%2E%22">Abdelmouleh, M.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Karray%2C+R%2E%22">Karray, R.</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Van+Der+Lee%2C+A%2E%22">Van Der Lee, A.</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Kabadou%2C+A%2E%22">Kabadou, A.</searchLink><relatesTo>1</relatesTo><i> ahlemkabadou@yahoo.fr</i><br /><searchLink fieldCode="AR" term="%22Ben+Salah%2C+A%2E%22">Ben Salah, A.</searchLink><relatesTo>1</relatesTo>
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  Data: <searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Dielectrics%22">Dielectrics</searchLink><br /><searchLink fieldCode="DE" term="%22Vibration+%28Mechanics%29%22">Vibration (Mechanics)</searchLink><br /><searchLink fieldCode="DE" term="%22Lithium+isotopes%22">Lithium isotopes</searchLink><br /><searchLink fieldCode="DE" term="%22Doped+semiconductors%22">Doped semiconductors</searchLink><br /><searchLink fieldCode="DE" term="%22Temperature+effect%22">Temperature effect</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen+bonding%22">Hydrogen bonding</searchLink><br /><searchLink fieldCode="DE" term="%22Raman+spectroscopy%22">Raman spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Phase+transitions%22">Phase transitions</searchLink><br /><searchLink fieldCode="DE" term="%22Impedance+spectroscopy%22">Impedance spectroscopy</searchLink>
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  Label: Abstract
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  Data: Abstract: The crystal structure of the new Li-doped material [Li0.08(NH4)0.92]2TeCl4Br2, has been determined by X-ray single crystal analysis at room temperature. The title compound crystallizes in the tetragonal space group P4/mnc, with a lattice parameters a =7.3269(3)Å and c =10.3916(5)Å, Z =2. The structure of [Li0.08(NH4)0.92]2TeCl4Br2 consists of isolated TeCl4Br2 octahedra slightly deformed in c-direction. These octahedra show a slightly rotation around the fourfold axis against the cubic arrangement of the K2PtCl6 type structure. The monovalent cations are located between the octahedra ensuring the stability of the structure by ionic and hydrogen bonding contacts: Li⋯Cl/Br and N–H⋯Cl/Br. Three endothermic peaks in thermal behavior were detected for this compound at 350K, 419K and 558K, by DSC experiment. The first transition was confirmed by Raman spectroscopic and IR studies. Hydrogen bonding, the nature and the degree of structure (dis)order and the mechanisms of the transitions are discussed. The dielectric constant at different frequencies and temperatures revealed a phase transition at 350K related to reorientation and H+ diffusion. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
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  Data: <i>Copyright of Journal of Molecular Structure is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.molstruc.2010.11.051
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      – Code: eng
        Text: English
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        PageCount: 6
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      – SubjectFull: Molecular structure
        Type: general
      – SubjectFull: Dielectrics
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      – SubjectFull: Vibration (Mechanics)
        Type: general
      – SubjectFull: Lithium isotopes
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      – SubjectFull: Doped semiconductors
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      – SubjectFull: Temperature effect
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      – SubjectFull: Hydrogen bonding
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      – SubjectFull: Raman spectroscopy
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      – SubjectFull: Phase transitions
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      – SubjectFull: Impedance spectroscopy
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      – TitleFull: Structural, vibrational and dielectric properties of the new Li-doped material [Li0.08(NH4)0.92]2TeCl4Br2
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              Text: Feb2011
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