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Structure of phase III and polymorphism of (CH3)3 CBr
dc.contributor.author | Negrier, Philippe |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Veglio, Néstor Raúl |
dc.contributor.author | Mondieig, Denise |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear |
dc.date.accessioned | 2010-06-02T10:48:40Z |
dc.date.available | 2010-06-02T10:48:40Z |
dc.date.created | 2010-05-05 |
dc.date.issued | 2010-05-05 |
dc.identifier.citation | Negrier, P. [et al.]. Structure of phase III and polymorphism of (CH3)3 CBr. "Crystal growth and design", 05 Maig 2010, vol. 10, núm. 6, p. 2793-2800. |
dc.identifier.issn | 1528-7483 |
dc.identifier.uri | http://hdl.handle.net/2117/7482 |
dc.description.abstract | 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) Å, b = 5.7378(1) Å, and c = 10.9626(2) Å 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 (Z′ = 1 + 1/2 + 1/2). 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.format.extent | 8 p. |
dc.language.iso | eng |
dc.rights | Attribution-NonCommercial-NoDerivs 3.0 Spain |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
dc.subject | Àrees temàtiques de la UPC::Física::Física molecular |
dc.subject.lcsh | Molecular crystals |
dc.title | Structure of phase III and polymorphism of (CH3)3 CBr |
dc.type | Article |
dc.subject.lemac | Física molecular |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/cg100425g |
dc.rights.access | Restricted access - publisher's policy |
local.identifier.drac | 2541786 |
dc.description.version | Postprint (published version) |
local.citation.author | Negrier, P.; Del Barrio, M.; Tamarit, J.; Veglio, N.; Mondieig, D. |
local.citation.publicationName | Crystal growth and design |
local.citation.volume | 10 |
local.citation.number | 6 |
local.citation.startingPage | 2793 |
local.citation.endingPage | 2800 |
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