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Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability
dc.contributor.author | Negrier, Philippe |
dc.contributor.author | Ben Hassine, Bacem |
dc.contributor.author | Barrio Casado, María del |
dc.contributor.author | Romanini, Michela |
dc.contributor.author | Mondieig, Denise |
dc.contributor.author | Tamarit Mur, José Luis |
dc.contributor.other | Universitat Politècnica de Catalunya. Departament de Física |
dc.date.accessioned | 2021-03-03T12:33:16Z |
dc.date.available | 2021-03-03T12:33:16Z |
dc.date.issued | 2020-02-21 |
dc.identifier.citation | Negrier, P. [et al.]. Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability. "Crystengcomm", 21 Febrer 2020, núm. 7, p. 1230:1-1230:9. |
dc.identifier.issn | 1466-8033 |
dc.identifier.uri | http://hdl.handle.net/2117/340831 |
dc.description.abstract | The polymorphism of 1,3-dimethyladamantane (13DMA), 1,3-adamantanediol (13DOHA) and 1,3-dibromoadamantane (13DBrA) has been studied by X-ray powder diffraction, density measurements and differential scanning calorimetry at normal and high-pressure. 13DMA exhibits a low-temperature ordered monoclinic phase (space group P21/c, Z = 4, Z' = 1) which transforms at 222.6 ± 0.5 K into a high-temperature hexagonal plastic phase (P63/mmc, Z = 26), stable up to the melting point at 246.8 ± 0.5 K at normal pressure. 13DOHA exhibits a low-temperature hexagonal phase (P63/mcm, Z = 6, Z' = 0.25) which transforms into a face-centered cubic plastic phase (Fm[3 with combining macron]m). 13DBrA exhibits a unique ordered orthorhombic phase (Pnma, Z = 4, Z' = 0.5) which remains till the melting point at 382.1 ± 0.5 K. The stability temperature domain of the plastic phases increases with pressure for both 13DMA and 13DOHA. The ability to form the plastic phase for these compounds as well as a series of adamantanes derivatives is analysed through the globularity and asphericity parameters derived from the Hirshfeld surface analysis. |
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 de l'estat sòlid::Cristalls |
dc.subject.lcsh | Crystals |
dc.title | Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability |
dc.type | Article |
dc.subject.lemac | Cristalls |
dc.contributor.group | Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
dc.identifier.doi | 10.1039/c9ce01910c |
dc.description.peerreviewed | Peer Reviewed |
dc.relation.publisherversion | https://pubs.rsc.org/en/content/articlelanding/2020/CE/C9CE01910C#!divAbstract |
dc.rights.access | Open Access |
local.identifier.drac | 27776595 |
dc.description.version | Postprint (author's final draft) |
local.citation.author | Negrier, P.; Ben Hassine, B.; Del Barrio, M.; Romanini, M.; Mondieig, D.; Tamarit, J. Ll. |
local.citation.publicationName | Crystengcomm |
local.citation.number | 7 |
local.citation.startingPage | 1230:1 |
local.citation.endingPage | 1230:9 |
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