Academic Journal
Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability
| العنوان: | Polymorphism of 1,3-X-adamantanes (X = Br, OH, CH3) and the crystal plastic phase formation ability |
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| المؤلفون: | Negrier, Philippe, Ben Hassine, Bacem, Barrio Casado, María del, Romanini, Michela, Mondieig, Denise, Tamarit Mur, José Luis |
| المساهمون: | Universitat Politècnica de Catalunya. Departament de Física, Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials |
| سنة النشر: | 2020 |
| المجموعة: | Universitat Politècnica de Catalunya, BarcelonaTech: UPCommons - Global access to UPC knowledge |
| مصطلحات موضوعية: | Àrees temàtiques de la UPC::Física::Física de l'estat sòlid::Cristalls, Crystals, Cristalls |
| الوصف: | 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. ; Peer Reviewed ; Postprint (author's final draft) |
| نوع الوثيقة: | article in journal/newspaper |
| وصف الملف: | application/pdf |
| اللغة: | English |
| تدمد: | 1466-8033 |
| Relation: | https://pubs.rsc.org/en/content/articlelanding/2020/CE/C9CE01910C#!divAbstract; 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.; http://hdl.handle.net/2117/340831 |
| DOI: | 10.1039/c9ce01910c |
| الاتاحة: | http://hdl.handle.net/2117/340831 https://doi.org/10.1039/c9ce01910c |
| Rights: | Attribution-NonCommercial-NoDerivs 3.0 Spain ; http://creativecommons.org/licenses/by-nc-nd/3.0/es/ ; Open Access |
| رقم الانضمام: | edsbas.736F6563 |
| قاعدة البيانات: | BASE |
| تدمد: | 14668033 |
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| DOI: | 10.1039/c9ce01910c |