Details

Autor(en) / Beteiligte

• Grim, R. Gary
• Barnes, Brian C.
• Lafond, Patrick G.
• Kockelmann, Winfred A.
• Keen, David A.
• Soper, Alan K.
• Hiratsuka, Masaki
• Yasuoka, Kenji
• Koh, Carolyn A.
• Sum, Amadeu K.

Titel

Observation of Interstitial Molecular Hydrogen in Clathrate Hydrates

Ist Teil von

• Angewandte Chemie, 2014-09, Vol.126 (40), p.10886-10889

Ort / Verlag

Weinheim: WILEY-VCH Verlag

Erscheinungsjahr

2014

Quelle

Access via Wiley Online Library

Beschreibungen/Notizen

• The current knowledge and description of guest molecules within clathrate hydrates only accounts for occupancy within regular polyhedral water cages. Experimental measurements and simulations, examining the tert‐butylamine+H2+H2O hydrate system, now suggest that H2 can also be incorporated within hydrate crystal structures by occupying interstitial sites, that is, locations other than the interior of regular polyhedral water cages. Specifically, H2 is found within the shared heptagonal faces of the large (43596273) cage and in cavities formed from the disruption of smaller (4454) water cages. The ability of H2 to occupy these interstitial sites and fluctuate position in the crystal lattice demonstrates the dynamic behavior of H2 in solids and reveals new insight into guest–guest and guest–host interactions in clathrate hydrates, with potential implications in increasing overall energy storage properties. Definitionssache: In Gegenwart von molekularem Wasserstoff (grün) wurde in Typ‐VI‐Clathrathydraten die Belegung des interstitiellen Raums (rot) durch tBuNH2 studiert (siehe Bild). Die Beobachtungen widersprechen einer Definition, der zufolge alle Gastspezies in Clathrathydraten im Inneren des Wassergitters vorliegen.