Structure of Phase III and Polymorphism of (CH3)3CBr
| hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
| dc.contributor.author | NÉGRIER, Philippe | |
| hal.structure.identifier | Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB] | |
| dc.contributor.author | BARRIO, Maria | |
| 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 | VEGLIO, Nestor | |
| hal.structure.identifier | Centre de physique moléculaire optique et hertzienne [CPMOH] | |
| dc.contributor.author | MONDIEIG, Denise | |
| dc.date.created | 2010-03-30 | |
| dc.date.issued | 2010 | |
| dc.identifier.issn | 1528-7483 | |
| dc.description.abstractEn | The 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.iso | en | |
| dc.publisher | American Chemical Society | |
| dc.rights.uri | http://creativecommons.org/licenses/by-nc-sa/ | |
| dc.title.en | Structure of Phase III and Polymorphism of (CH3)3CBr | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1021/cg100425g | |
| dc.subject.hal | Chimie/Cristallographie | |
| bordeaux.journal | Crystal Growth & Design | |
| bordeaux.page | 2793–2800 | |
| bordeaux.volume | 10 | |
| bordeaux.issue | 6 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00495006 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00495006v1 | |
| bordeaux.COinS | ctx_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 |
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