Títol:
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Structure and dynamics of the crystalline stable phase of 2-Chlorothiophene
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Autor/a:
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Romanini, Michela; Negrier, Philippe; Barrio Casado, María del; Mondieig, Denise; Serra, Pablo; Zuriaga, Jose Mariano; Macovez, Roberto; Tamarit Mur, José Luis
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Altres autors:
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Universitat Politècnica de Catalunya. Departament de Física; Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
Abstract:
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The dynamics of a simple and rigid molecule (2-chlorothiophene) has been studied by means of broadband dielectric spectroscopy (BDS) within the low-temperature stable crystalline phase, whose structure has been determined by means of powder X-ray diffraction (PXRD) measurements. The triclinic P1 structure consists of two molecules per asymmetric unit (Z' = 2) with site occupancies of 80:20 and 60:40 for each molecule of the asymmetric unit. Such a statistical intrinsic disorder is associated with two dynamical relaxation processes corresponding respectively to out-of-plane relaxations around the C–Cl 2-fold molecular axis and in-plane reorientational motions as proposed previously (Fujiromi and Oguni, J. Phys. Chem. Solids 1993, 54, 437-612). The PXRD and BDS measurements allow rationalizing published nuclear quadrupole resonance data. We show that only the concurrent use of different experimental techniques provides the answer to a complicated case of orientational molecular dynamics in the solid state. |
Abstract:
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Peer Reviewed |
Matèries:
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-Àrees temàtiques de la UPC::Enginyeria dels materials -Spectrum analysis -Anàlisi espectral |
Drets:
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Attribution-NonCommercial-NoDerivs 3.0 Spain
http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
Tipus de document:
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Article - Versió presentada Article |
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