Mostrar el registro sencillo del ítem

Structure of Phase III and Polymorphism of (CH3)3CBr

hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorNÉGRIER, Philippe
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorBARRIO, Maria
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorTAMARIT, Jose Luis
hal.structure.identifierDepartament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]
dc.contributor.authorVEGLIO, Nestor
hal.structure.identifierCentre de physique moléculaire optique et hertzienne [CPMOH]
dc.contributor.authorMONDIEIG, Denise
dc.date.created2010-03-30
dc.date.issued2010
dc.identifier.issn1528-7483
dc.description.abstractEnThe polymorphism of 2-bromo-2-methyl-propane ((CH3)3CBr) has been investigated by both thermal and X-ray powder diffraction experiments. The long time unknown structure of the low-temperature phase III has been determined by X-ray powder diffraction as orthorhombic Pmn21, with lattice parameters a = 19.1350(4) A ° , b = 5.7378(1) A ° , and c = 10.9626(2) A ° at 180 K, Z = 8 and with an asymmetric unit containing one molecule in a general position and two additional molecules placed in a mirror (Z0 =1þ1/2þ1/2). The phase transitions between the different phases have been characterized at normal pressure as well as at high pressures (up to 300 MPa). From the p-T slopes of the two-phase coexistence lines and density measurements as a function of pressure, the volume variations at the transition points have been obtained and compared with those obtained by means of X-ray powder diffraction at normal pressure. The packing as well as the anisotropy of the intermolecular interactions have been analyzed by means of the thermal-expansion tensor and compared with tert-butyl ((CH3)3CX, X = Cl, CN) related compounds.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.rights.urihttp://creativecommons.org/licenses/by-nc-sa/
dc.title.enStructure of Phase III and Polymorphism of (CH3)3CBr
dc.typeArticle de revue
dc.identifier.doi10.1021/cg100425g
dc.subject.halChimie/Cristallographie
bordeaux.journalCrystal Growth & Design
bordeaux.page2793–2800
bordeaux.volume10
bordeaux.issue6
bordeaux.peerReviewedoui
hal.identifierhal-00495006
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00495006v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Crystal%20Growth%20&%20Design&rft.date=2010&rft.volume=10&rft.issue=6&rft.spage=2793%E2%80%932800&rft.epage=2793%E2%80%932800&rft.eissn=1528-7483&rft.issn=1528-7483&rft.au=N%C3%89GRIER,%20Philippe&BARRIO,%20Maria&TAMARIT,%20Jose%20Luis&VEGLIO,%20Nestor&MONDIEIG,%20Denise&rft.genre=article


Archivos en el ítem

ArchivosTamañoFormatoVer

No hay archivos asociados a este ítem.

Este ítem aparece en la(s) siguiente(s) colección(ones)

Mostrar el registro sencillo del ítem