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A co-crystal between benzene and ethane: a potential evaporite material for Saturn's moon Titan.
Maynard-Casely, Helen E; Hodyss, Robert; Cable, Morgan L; Vu, Tuan Hoang; Rahm, Martin.
Afiliação
  • Maynard-Casely HE; Bragg Institute, Australian Nuclear Science and Technology Organisation , Locked Bag 2001, Kirrawee DC, NSW 2232, Australia.
  • Hodyss R; Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
  • Cable ML; Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
  • Vu TH; Jet Propulsion Laboratory, California Institute of Technology , 4800 Oak Grove Drive, Pasadena, CA 91109, USA.
  • Rahm M; Chemistry and Chemical Biology, Baker Laboratory, Cornell University , Ithaca, NY 14853, USA.
IUCrJ ; 3(Pt 3): 192-9, 2016 May 01.
Article em En | MEDLINE | ID: mdl-27158505
Using synchrotron X-ray powder diffraction, the structure of a co-crystal between benzene and ethane formed in situ at cryogenic conditions has been determined, and validated using dispersion-corrected density functional theory calculations. The structure comprises a lattice of benzene molecules hosting ethane molecules within channels. Similarity between the intermolecular interactions found in the co-crystal and in pure benzene indicate that the C-H⋯π network of benzene is maintained in the co-crystal, however, this expands to accommodate the guest ethane molecules. The co-crystal has a 3:1 benzene:ethane stoichiometry and is described in the space group [Formula: see text] with a = 15.977 (1) Šand c = 5.581 (1) Šat 90 K, with a density of 1.067 g cm(-3). The conditions under which this co-crystal forms identify it is a potential that forms from evaporation of Saturn's moon Titan's lakes, an evaporite material.
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Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Idioma: En Ano de publicação: 2016 Tipo de documento: Article