Observation of interstitial molecular hydrogen in clathrate hydrates.

Autor: Grim RG; Department of Chemical and Biological Engineering, Colorado School of Mines, 1500 Illinois Street, Golden, CO 80401 (USA)., Barnes BC, Lafond PG, Kockelmann WA, Keen DA, Soper AK, Hiratsuka M, Yasuoka K, Koh CA, Sum AK
Jazyk: angličtina
Zdroj: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2014 Sep 26; Vol. 53 (40), pp. 10710-3. Date of Electronic Publication: 2014 Aug 19.
DOI: 10.1002/anie.201406546
Abstrakt: 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 (4(3)5(9)6(2)7(3)) cage and in cavities formed from the disruption of smaller (4(4)5(4)) 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.
(© 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)
Databáze: MEDLINE
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