Now showing items 1-20 of 30

    • 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) ...
    • Barocaloric response of plastic crystal 2-methyl-2-nitro-1-propanol across and far from the solid-solid phase transition 

      Salvatori, Alejandro; Barrio Casado, María del; Negrier, Philippe; Massip, Stephane; Romanini, Michela; Aznar Luque, Araceli; Lloveras Muntané, Pol Marcel; Tamarit Mur, José Luis (Institute of Physics (IOP), 2023-10-25)
      Article
      Open Access
      Plastic crystals have emerged as benchmark barocaloric (BC) materials for potential solid-state cooling and heating applications due to huge isothermal entropy changes and adiabatic temperature changes driven by pressure. ...
    • Colossal barocaloric effects in adamantane derivatives for thermal management 

      Salvatori, Alejandro; Negrier, Philippe; Aznar Luque, Araceli; Barrio Casado, María del; Tamarit Mur, José Luis; Lloveras Muntané, Pol Marcel (American Institute of Physics (AIP), 2022-11-16)
      Article
      Open Access
      Plastic crystals are currently attracting interest because their solid-state caloric functionality could be used to tackle climate change in two critical areas: (i) more environmentally friendly cooling and heating driven ...
    • 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 ...
    • Comparative physical study of three pharmaceutically active benzodiazepine derivatives: crystalline versus amorphous state and crystallization tendency 

      Valenti, Sofia; Barrio Casado, María del; Negrier, Philippe; Romanini, Michela; Macovez, Roberto; Tamarit Mur, José Luis (American Chemical Society, 2021-01-01)
      Article
      Open Access
      Chemical derivatization and amorphization are two possible strategies to improve the solubility and bioavailability of drugs, which is a key issue for the pharmaceutical industry. In this contribution, we explore whether ...
    • 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 ...
    • Crystalline tetrazepam as a case study on the volume change on melting of molecular organic compounds 

      Rietveld, Ivo B.; Negrier, Philippe; Barrio Casado, María del; Allouchi, Hassan; Céolin, René; Tamarit Mur, José Luis (2021-01-25)
      Article
      Open Access
      The volume change on melting is a rarely studied quantity and it is not well understood even if it must reflect the changes in interaction between the solid and the liquid state. It is part of the solid-state information ...
    • 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 ...
    • Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation 

      Gebbia, Jonathan Fernando; Henao Aristizabal, Andrés; Negrier, Philippe; Aguilà Aviles, David; Tamarit Mur, José Luis; Pardo Soto, Luis Carlos (Royal Society of Chemistry (RSC), 2023-11-06)
      Article
      Open Access
      Plastic phases are constituted by molecules whose centers of mass form a long range ordered crystalline lattice, but rotate in a more or less constrained way. Pentachloronitrobenzene (PCNB) is a quasi-planar hexa-substituted ...
    • 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 ...
    • Investigating disordered phases of C2Cl6 using an information theory approach 

      Henao, Andrés; Angulo García, David; Cuello, Gabriel Julio; Negrier, Philippe; Pardo Soto, Luis Carlos (2022-09-15)
      Article
      Open Access
      Many materials of interest and processes relevant to life are based in disordered phases. This disorder can be either positional, orientational or both as in the case of liquids. Unfortunately, the study of disordered ...
    • 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 and solid-solid phase transitions of hydrogen bonded 2-adamantanol and 2-methyl-2-adamantanol compounds 

      Salvatori, Alejandro; Negrier, Philippe; Massip, Stephane; Muñoz Duque, Antonio; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis (2022-05-28)
      Article
      Open Access
      The polymorphic behavior at normal pressure as a function of temperature of 2-adamantanol (C10H16O) and 2-methyl-2-adamantanol (C11H18O) has been investigated by single-crystal and powder X-ray diffraction as well as ...
    • 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 ...