Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2) - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Crystal Growth & Design Année : 2013

Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2)

Résumé

Halogenoethane derivatives are known to exhibit different polymorphs involving a different translational, orientational, and conformational order. The 1,1,2,2-tetrachloroethane (Cl2HC-CHCl2) exhibits a normal pressure orthorhombic phase ß (space group P212121 with Z = 8 and Z' = 2), formed by molecules with one of the two gauche conformations. At high pressure, the stable polymorph is known to be monoclinic (space group P2-1/c, with Z = 2 and Z' = 0.5), phase α, in which only the trans conformer appears. In this work, we demonstrate the existence of a normal pressure metastable polymorph, phase gama, for which the two gauche conformers show up in the asymmetric unit of a monoclinic (space group P2-1/c with Z = 8 and Z' = 2) structure. The new phase gama is obtained by recrystallization upon heating the glass obtained after quench of the melt. It displays shorter type II Cl...Cl contacts than the high-pressure phase α due to attractive and directional interactions.

Domaines

Cristallographie
Fichier principal
Vignette du fichier
NegrierCGD2013-2_Postprint.pdf (930.06 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00834309 , version 1 (08-01-2018)

Licence

Paternité - Partage selon les Conditions Initiales

Identifiants

Citer

Philippe Négrier, María Barrio, Josep Ll Tamarit, Denise Mondieig, M. J. Zuriaga, et al.. Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC-CHCl2). Crystal Growth & Design, 2013, 13 (5), pp.2143-2148. ⟨10.1021/cg400235b⟩. ⟨hal-00834309⟩

Collections

CNRS LOMA
114 Consultations
133 Téléchargements

Altmetric

Partager

Gmail Facebook X LinkedIn More