Synthesis and characterization of a structure H hydrate formed with carbon dioxide and 3,3-dimethyl-2-butanone

Chem Commun (Camb). 2013 Jan 18;49(5):505-7. doi: 10.1039/c2cc37717a.


Experiments were carried out to synthesize and characterize a structure H clathrate hydrate containing CO(2) and 3,3-dimethyl-2-butanone (pinacolone) by means of phase equilibrium and powder X-ray diffraction measurements. Molecular dynamics simulations of this structure H hydrate were performed to understand the nature of guest-host molecular interactions.