NÉGRIER, Philippe; BARRIO, María; TAMARIT, Josep Ll; MONDIEIG, Denise; ZURIAGA, M. J.; PEREZ, S. C.

doi:10.1021/cg400235b

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NÉGRIER, Philippe
Laboratoire Ondes et Matière d'Aquitaine [LOMA]

BARRIO, María
Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]

TAMARIT, Josep Ll
Departament de Fisica i Enginyeria Nuclear [UPC, Barcelone] [ETSEIB]

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Crystal Growth & Design. 2013, vol. 13, n° 5, p. 2143-2148

American Chemical Society

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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.< Leer menos

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

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