Orientational order in the stable buckminster fullerene solvate C60·2CBr2H2

Crystals of the solvate C60·2CBr2H2 (monoclinic C2/m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, 54.9 kJ mol-1 of solvent, as well as the relatively large negative excess vo...

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Detalles Bibliográficos
Autores: Ye, Jin, Barrio Casado, María del|||0000-0003-3467-7581, Negrier, Philippe, Qureshi, Navid, Rietveld, Ivo B., Céolin, René, Tamarit Mur, José Luis|||0000-0002-7965-0000
Tipo de recurso: artículo
Fecha de publicación:2017
País:España
Institución:Universitat Politècnica de Catalunya (UPC)
Repositorio:UPCommons. Portal del coneixement obert de la UPC
Idioma:inglés
OAI Identifier:oai:upcommons.upc.edu:2117/104919
Acceso en línea:https://hdl.handle.net/2117/104919
https://dx.doi.org/10.1140/epjst/e2016-60272-x
Access Level:acceso abierto
Palabra clave:Crystals--Psychic aspects
Molecules
Cristalls -- Propietats físiques
Molècules
Àrees temàtiques de la UPC::Física
Descripción
Sumario:Crystals of the solvate C60·2CBr2H2 (monoclinic C2/m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, 54.9 kJ mol-1 of solvent, as well as the relatively large negative excess volume of -49.6 Å3 indicate the presence of strong intermolecular interactions between C60 and CBr2H2. The strong intermolecular interactions are consistent with an overall orientational order for the C60 and the CBr2H2 molecules in the solvate as found by the Rietveld refinement of its crystal structure.