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

Aribia, W. Ben; Abdelmouleh, Makki; Karray, R.; Lee, A. Van Der; Kabadou, A.; Salah, A. Ben

doi:10.1016/j.molstruc.2010.11.051

Journal of Molecular Structure

2011

DOI: 10.1016/j.molstruc.2010.11.051

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

W. Ben Aribia¹,

Makki Abdelmouleh²,

R. Karray³

et al.

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Cited by 4 publications

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“…Their structures and vibrational spectroscopic properties are well-known and they serve as benchmarks to establish the level of reliability in the current DFT methods in identification and spectroscopic characterization. By contrast, the information of mixed [TeClxBr6-x] 2-anions is much sparser describing mainly the preparation of the salts [21][22][23][24][25][26][27][28][29][30][31]. …”

mentioning

confidence: 99%

Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations

Närhi

Kutuniva

Lajunen

et al. 2014

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Laitinen, R. (2014). Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y = Br, Cl; bdmim = 1-butyl-2,3 -dimethylimidazolium) by combined application of Raman spectroscopy and solidstate DFT calculations. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 117, 728-738. doi:10.1016/j.saa.2013 1.Introduction.X-ray crystallography provides the most definite means to elucidate structures of different types of materials at the molecular level. However, successful routine structure determinations require crystalline material, which contains well-defined single crystals with ordered, periodically repeating structures. In many cases this is not a case. For instance, disorder and twinning are common occurrences, and the number of modular structures is continually growing. Various techniques have been developed to deal with some of these problems, as exemplified in refs. 1-5, though some types of disorder cannot be resolved by X-ray crystallography alone.Spectroscopic methods have often been evoked to resolve the crystallographic disorder. For instance, crystalline eight-membered SenS8-n ring molecules [6] or [TiCp2SenS5-n] complexes [7] are solid solutions of 30 and 20 molecular species, respectively, taking the presence of isomers into account. Consequently, each chalcogen-atom sites in both compounds are partially occupied by sulfur and selenium atoms. In both cases, individual molecules have been identified by dissolving the crystalline samples, and recording and assigning their 77 Se NMR spectra [6,7].Vibrational spectroscopy is useful in the identification of individual species in disordered crystal

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mentioning

confidence: 99%

Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations

Närhi

Kutuniva

Lajunen

et al. 2014

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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Synthesis, spectroscopic, structural and thermal characterizations of [(C 7 H 6 NO 4 ) 2 TeBr 6 ·4H 2 O]

Smaoui¹,

Kabadou²,

Lee³

et al. 2018

Journal of Saudi Chemical Society

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Growth, crystal structure, Hirshfeld surface, dielectric and vibrational properties of a new inorganic-organic single crystal: (C5H6N2Cl)2TeCl6

Smaoui

Zaafouri

Megdiche

et al. 2018

Superlattices and Microstructures

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

Cited by 4 publications

References 21 publications

Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations

Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations

Synthesis, spectroscopic, structural and thermal characterizations of [(C 7 H 6 NO 4 ) 2 TeBr 6 ·4H 2 O]

Growth, crystal structure, Hirshfeld surface, dielectric and vibrational properties of a new inorganic-organic single crystal: (C5H6N2Cl)2TeCl6

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