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An order-disorder phase transition in the van der Waals based solvate of C60 and CClBrH2

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hdl:2117/118357

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Ye, Jin
Barrio Casado, María delMés informacióMés informacióMés informació
Céolin, René
Qureshi, Navid
Negrier, Philippe
Rietveld, Ivo B.
Tamarit Mur, José LuisMés informacióMés informacióMés informació
Document typeArticle
Defense date2018-04-04
Rights accessOpen Access
All rights reserved. This work is protected by the corresponding intellectual and industrial property rights. Without prejudice to any existing legal exemptions, reproduction, distribution, public communication or transformation of this work are prohibited without permission of the copyright holder
Abstract
The co-crystal of C60·2CBrClH2 possesses a monoclinic (C2/m) structure at room temperature with both molecular entities, C60 and CBrClH2, orientationally ordered. At 322 K, it transforms reversibly into a hexagonal (P6/mmm) setting, revealing a rare example of a heteromolecular stator–rotator transition in a fullerene co-crystal, which applies to both the fullerene and the coformer analogous to the paradigmatic C60–cubane co-crystal. However, in the present case, topological molecular surface matching between the two chemical species is not necessary and the order–disorder phase transition reflects simultaneous activation of the orientational disorder of both C60 and CBrClH2.
CitationYe, J., Del Barrio, M., Céolin, R., Qureshi, N., Negrier, P., Rietveld, I., Tamarit, J. L. An order-disorder phase transition in the van der Waals based solvate of C60 and CClBrH2. "Crystengcomm", 4 Abril 2018, vol. 20, p. 2729-2732. 
URIhttp://hdl.handle.net/2117/118357
DOI10.1039/c8ce00271a
ISSN1466-8033
Publisher versionhttp://pubs.rsc.org/en/content/articlelanding/2018/ce/c8ce00271a#!divAbstract
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