Polymorphism in Halogen-Ethane Derivatives: CCl3-CF2Cl and CF3-CF2Cl
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | NÉGRIER, Philippe | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | BARRIO, María | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | TAMARIT, Jose Luis | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | PARDO, Luis C. | |
| hal.structure.identifier | Laboratoire Ondes et Matière d'Aquitaine [LOMA] | |
| dc.contributor.author | MONDIEIG, Denise | |
| dc.date.created | 2011-11-28 | |
| dc.date.issued | 2012 | |
| dc.identifier.issn | 1528-7483 | |
| dc.description.abstractEn | 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 of a high-temperature orientationally disordered phase with a high symmetry lattice is expected for this set of compounds in view of their "pseudospherical" molecular geometry. In this work, we present a study of polymorphism of the compounds 1,1,1,2-tetrachloro-2,2-difluoroethane (CCl3-CF2Cl) and 1-chloro-1,1,2,2,2-pentafluoroethane (CF3-CF2Cl), in which conformational disorder is not present, by combining neutron (D2B and D1B instruments at the Laue-Langevin Institute) and X-ray scattering experiments. We show that despite the close molecular shapes and molecular structures of both compounds, strong differences concerning the disorder appear in the low-temperature phase. The low-temperature phase for CF3?CF2Cl is found to be fully ordered, with a monoclinic P21/n structure (Z = 4), while that of CCl3-CF2Cl is found to be orthorhombic Pmna (Z = 4) with a disorder concerning one Cl and one F sites, each one with a fractional occupancy of 50%. Details related to the high-temperature orientationally disordered phases (both body-centered-cubic) are also given. | |
| dc.language.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-sa/ | |
| dc.title.en | Polymorphism in Halogen-Ethane Derivatives: CCl3-CF2Cl and CF3-CF2Cl | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/cg201575v | |
| dc.subject.hal | Chimie/Cristallographie | |
| bordeaux.journal | Crystal Growth & Design | |
| bordeaux.page | 1513-1519 | |
| bordeaux.volume | 12 | |
| bordeaux.issue | 3 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00694921 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00694921v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2012&rft.volume=12&rft.issue=3&rft.spage=1513-1519&rft.epage=1513-1519&rft.eissn=1528-7483&rft.issn=1528-7483&rft.au=N%C3%89GRIER,%20Philippe&BARRIO,%20Mar%C3%ADa&TAMARIT,%20Jose%20Luis&PARDO,%20Luis%20C.&MONDIEIG,%20Denise&rft.genre=article |
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