Eur. Phys. J. Special Topics 226, 857-867 (2017)
https://doi.org/10.1140/epjst/e2016-60272-x

Regular Article

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

¹ Departament de Física, ETSEIB, Universitat Politècnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
² LOMA, UMR 5798, F-33400 Talence, France, CNRS, LOMA, UMR 5798, Université de Bordeaux, 33400 Talence, France
³ Institut Laue Langevin, 71 avenue des Martyrs – CS 20156 – 38042 Grenoble Cedex 9, France
⁴ Laboratoire de Chimie Physique, CAMMAT, Faculté de Pharmacie, Université Paris Descartes, 4 avenue de l'Observatoire, 75006 Paris, France
⁵ LETIAM, EA7357, IUT Orsay, Université Paris Sud, rue Noetzlin, 91405 Orsay Cedex, France

^a e-mail: josep.lluis.tamarit@upc.edu

Received: 15 September 2016
Revised: 4 November 2016
Published online: 18 April 2017

Abstract

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 ų 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.