Now showing items 1-20 of 21

    • A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase 

      Yuan, Lina; Clevers, Simon; Burel, Antoine; Negrier, Philippe; Barrio Casado, María del; Ben Hassine, Bacem; Mondieig, Denise; Dupray, Valérie; Tamarit Mur, José Luis; Coquerel, Gerard (2017-06-07)
      Article
      Open Access
      Phase transitions of 1-fluoro-adamantane have been thoroughly investigated by temperature-resolved second harmonic generation (TR-SHG) and X-ray powder diffraction (XRPD). A new polymorph - an intermediate centrosymmetric ...
    • An order-disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 

      Ye, Jin; Barrio Casado, María del; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit Mur, José Luis (2018-04-04)
      Article
      Open Access
      The co-crystal of C60·2CBrClH2 possesses a monoclinic (C2/m) structure at room temperature with both molecular entities, C60 and CBrClH2, orientationally ordered. At 322 K, it transforms reversibly into a hexagonal (P6/mmm) ...
    • Colossal barocaloric effects near room temperature in plastic crystals of neopentylglycol 

      Lloveras Muntané, Pol Marcel; Aznar Luque, Araceli; Barrio Casado, María del; Negrier, Philippe; Popescu, C.; Planes Vila, Antoni; Mañosa Carrera, Lluis; Stern Taulats, Enric; Avramenko, Alex; Mathur, N.D.; Moya Raposo, Xavier; Tamarit Mur, José Luis (2019-04-18)
      Article
      Open Access
      There is currently great interest in replacing the harmful volatile hydrofluorocarbon fluids used in refrigeration and air-conditioning with solid materials that display magnetocaloric, electrocaloric or mechanocaloric ...
    • Conformational polymorphism: The missing phase of 1,1,2,2-tetrachloroethane (Cl2HC-CHCl2) 

      Barrio Casado, María del; Tamarit Mur, José Luis; Mondieig, Denise; Zuriaga, Jose Mariano; Perez, Silvina C.; Negrier, Philippe (2013-05)
      Article
      Restricted access - publisher's policy
      Halogenoethane derivatives are known to exhibit different polymorphs involving a different translational, orientational, and conformational order. The 1,1,2,2- tetrachloroethane (Cl2HC−CHCl2) exhibits a normal pressure ...
    • Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane 

      Perez, Silvina C.; Zuriaga, Jose Mariano; Serra, Pablo; Wolfenson, Alberto; Negrier, Philippe; Tamarit Mur, José Luis (2015-10-07)
      Article
      Open Access
      A thorough characterization of the gamma, beta, and glass phases of deuterated 1,1,2,2 tetrachloroethane (C2D2Cl4) via nuclear quadrupole resonance and Molecular Dynamic Simulations (MDSs) is reported. The presence of ...
    • Emergence of glassy-like dynamics in an orientationally ordered phase 

      Romanini, Michela; Negrier, Philippe; Tamarit Mur, José Luis; Capaccioli, Simon; Barrio Casado, María del; Pardo Soto, Luis Carlos; Mondieig, Denise (2012-04-04)
      Article
      Open Access
      The dynamics of a simple rigid pseudoglobular molecule (2-adamantanone) has been studied by means of dielectric spectroscopy and examined under the constraints imposed by the space group of the crystal structure determined ...
    • From figh-temperature orientationally disordered mixed crystals to low-temperature complex formation in the two-component system (CH3)3CBr + Cl3CBr 

      Barrio Casado, María del; Negrier, Philippe; Tamarit Mur, José Luis; Mondieig, Denise (2011-02-02)
      Article
      Restricted access - publisher's policy
      The phase diagram of the two-component systems (CH(3))(3)CBr + Cl(3)CBr has been experimentally determined by means of differential scanning calorimetry and X-ray powder diffraction techniques from the low-temperature ...
    • Ordered and disordered solvates of C 60 and CBrCl 2 H 

      Ye, Jin; Barrio Casado, María del; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit Mur, José Luis (2019-01-01)
      Article
      Open Access
      The formation of co-crystals is often unexpected; however, the Buckminster fullerene, for which many solvates are known,is an excellent system to study this tendency. In the present paper, C60 and CBrCl2H co-crystals have ...
    • Orientational order in the stable buckminster fullerene solvate C60·2CBr2H2 

      Ye, Jin; Barrio Casado, María del; Negrier, Philippe; Qureshi, Navid; Rietveld, Ivo B.; Céolin, René; Tamarit Mur, José Luis (2017-04-01)
      Article
      Open Access
      Crystals of the solvate C60·2CBr2H2 (monoclinic C2/m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, ...
    • Phase transition in hydrogen-bonded 1-adamantane-methanol 

      Ben Hassine, Bacem; Negrier, Philippe; Barrio Casado, María del; Mondieig, Denise; Massip, Stephane; Tamarit Mur, José Luis (2015-08-01)
      Article
      Open Access
      The polymorphism of 1-adarnantane-methanol C11H18O has been investigated by differential thermal analysis and single-crystal and powder X-ray diffraction. Below the melting temperature (389.5 +/- 0.4 K), this compound ...
    • Polymorphism in 2-X-Adamantane Derivatives (X = Cl, Br) 

      Negrier, Philippe; Barrio Casado, María del; Tamarit Mur, José Luis; Mondieig, Denise (2014-08-14)
      Article
      Restricted access - publisher's policy
      The polymorphism of two 2-X-adamantane derivatives, X = Cl, X = Br, has been studied by X-ray powder diffraction and normal- and high-pressure (up to 300 MPa) differential scanning calorimetry. 2-Br-adamantane displays a ...
    • Polymorphism in halogen-ethane derivatives: CCl3-CCl3 and ClF2C-CF2Cl 

      Negrier, Philippe; Tamarit Mur, José Luis; Barrio Casado, María del; Mondieig, Denise (2013-02-06)
      Article
      Restricted access - publisher's policy
      The polymorphism of hexachloroethane, Cl3C−CCl3, has been reinvestigated by means of X-ray and neutron scattering. The long time unknown structure of the intermediate phase II of Cl3C−CCl3 has been determined as monoclinic ...
    • Polymorphism in halogen-ethane derivatives: CCl3-CF2Cl and CF3-CF2Cl 

      Negrier, Philippe; Barrio Casado, María del; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos; Mondieig, Denise (2012-01-03)
      Article
      Restricted access - publisher's policy
      Molecular crystals of halogen–ethane derivatives C2X6–nYn (X = Cl, Y = F) are known to display order–disorder phase transitions involving changes of the translational, orientational, and conformational order. The appearance ...
    • Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability 

      Negrier, Philippe; Ben Hassine, Bacem; Barrio Casado, María del; Romanini, Michela; Mondieig, Denise; Tamarit Mur, José Luis (2020-02-21)
      Article
      Open Access
      The polymorphism of 1,3-dimethyladamantane (13DMA), 1,3-adamantanediol (13DOHA) and 1,3-dibromoadamantane (13DBrA) has been studied by X-ray powder diffraction, density measurements and differential scanning calorimetry ...
    • Polymorphism of 2-Adamantanone 

      Negrier, Philippe; Barrio Casado, María del; Romanini, Michela; Tamarit Mur, José Luis; Mondieig, Denise; Krivchikov, Alexander I; Kepinski, L.; Jezowski, Andrzej; Szewczyk, Daria (2014-05-07)
      Article
      Restricted access - publisher's policy
      The polymorphism of 2-adamantanone (C10H14O) has been investigated by means of X-ray diffraction and high-pressure thermal analysis. The intricate behavior of the low-temperature crystalline phases has been disentangled. ...
    • Polymorphism with conformational isomerism and incomplete crystallization in solid ethanolamine 

      Romanini, Michela; Negrier, Philippe; Tripathi, Pragya; Gournis, Dimitrios; Lira, Kyriaki-Marina; Barrio Casado, María del; Pardo Soto, Luis Carlos; Tamarit Mur, José Luis; Macovez, Roberto (2019-09-25)
      Article
      Open Access
      We employ calorimetry, Rietveld refinement of X-ray powder diffraction, broadband dielectric spectroscopy and molecular dynamics simulations, to investigate the phase behavior, crystal structure, dc conductivity and ...
    • Relationship between the two-component system 1-Br-adamantane + 1-Cl-adamantane and the high-pressure properties of the pure components 

      Barrio Casado, María del; Levit Valenzuela, Rafael; Lloveras Muntané, Pol Marcel; Aznar Luque, Araceli; Negrier, Philippe; Mondieig, Denise; Tamarit Mur, José Luis (2018-03-15)
      Article
      Open Access
      The temperature-composition phase diagram of the two-component system 1-Br-adamantane and 1-Cl-adamantane has been determined by means of thermal analysis techniques and X-ray powder diffraction from the low-temperature ...
    • Reversible and irreversible colossal barocaloric effects in plastic crystals 

      Aznar Luque, Araceli; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Negrier, Philippe; Planes Vila, Antoni; Mañosa Carrera, Lluis; Mathur, N.D.; Moya Raposo, Xavier; Tamarit Mur, José Luis (Royal Society of Chemistry (RSC), 2020)
      Article
      Open Access
      The extremely large latent heat exchanged in phase transitions involving strong molecular orientational disordering has recently led to the proposal of plastic crystals as a feasible solution for solid-state barocaloric ...
    • Structure and dynamics of the crystalline stable phase of 2-Chlorothiophene 

      Romanini, Michela; Negrier, Philippe; Barrio Casado, María del; Mondieig, Denise; Serra, Pablo; Zuriaga, Jose Mariano; Macovez, Roberto; Tamarit Mur, José Luis (2019-09-23)
      Article
      Open Access
      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 ...
    • Structure and reorientational dynamics of 1-F-adamantane 

      Ben Hassine, Bacem; Negrier, Philippe; Romanini, Michela; Barrio Casado, María del; Macovez, Roberto; Kallel, A.; Mondieig, Denise; Tamarit Mur, José Luis (2016-03-17)
      Article
      Open Access
      The polymorphism and the dynamics of a simple rigid molecule (1-fluoro-adamantane) have been studied by means of X-ray powder diffraction and broadband dielectric spectroscopy. At temperatures below the melting point, the ...