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A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase
dc.contributor.author | Yuan, Lina |
dc.contributor.author | Clevers, Simon |
dc.contributor.author | Burel, Antoine |
dc.contributor.author | Negrier, Philippe |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Ben Hassine, Bacem |
dc.contributor.author | Mondieig, Denise |
dc.contributor.author | Dupray, Valérie |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.author | Coquerel, Gerard |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física |
dc.date.accessioned | 2017-07-13T09:00:59Z |
dc.date.available | 2018-07-13T00:30:33Z |
dc.date.issued | 2017-06-07 |
dc.identifier.citation | Yuan, L., Clevers, S., Burel, A., Negrier, P., Del Barrio, M., Ben Hassine, B., Mondieig, D., Dupray, V., Tamarit, J. Ll., Coquerel, G. A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase. "Crystal growth and design", 7 Juny 2017, vol. 17, núm. 6, p. 3395-3401. |
dc.identifier.issn | 1528-7483 |
dc.identifier.uri | http://hdl.handle.net/2117/106369 |
dc.description.abstract | 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 phase (MT) - between the known orientationally disordered high temperature phase (HT, Fm3-m, Z = 4) and the low temperature phase (LT, P4-21c, Z = 2) was unveiled by TR-SHG. The crystal structure of MT was resolved by XRPD in the P42/nmc (Z = 2) space group, and it is related to the LT phase in a group-subgroup relation. No evidence of any solid-solid transition between these two phases by differential scanning calorimetry (DSC) or cold-stage microscopy could be obtained. Therefore, combing TR-SHG, XRPD, DSC, and cold-stage microscopy results, a second-order transition mechanism is proposed for the MT ¿ LT transition. Moreover, the critical exponent (ß) of the order parameter was calculated by fitting TR-SHG data to a critical power law. The obtained ß value (0.26) is close to the value from XRPD data (0.25). |
dc.format.extent | 7 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::Enginyeria química::Química física::Cristal·lografia |
dc.subject.lcsh | Crystallography |
dc.title | A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase |
dc.type | Article |
dc.subject.lemac | Cristal·lografia |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1021/acs.cgd.7b00353 |
dc.relation.publisherversion | http://pubs.acs.org/doi/abs/10.1021/acs.cgd.7b00353 |
dc.rights.access | Open Access |
local.identifier.drac | 21120175 |
dc.description.version | Postprint (author's final draft) |
local.citation.author | Yuan, L.; Clevers, S.; Burel, A.; Negrier, P.; Del Barrio, M.; Ben Hassine, B.; Mondieig, D.; Dupray, V.; Tamarit, J. Ll.; Coquerel, G. |
local.citation.publicationName | Crystal growth and design |
local.citation.volume | 17 |
local.citation.number | 6 |
local.citation.startingPage | 3395 |
local.citation.endingPage | 3401 |
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