Nicholson, Timothy M. ; Bhatia, Suresh K. (2006) Electrostatically mediated specific adsorption of small molecules in metallo-organic frameworks Journal of Physical Chemistry B, 110 (49). pp. 24834-24836. ISSN 1089-5647
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp065102b
Related URL: http://dx.doi.org/10.1021/jp065102b
Abstract
We investigate the interaction of ethylene and ethane with a Cu-tricarboxylate complex and show that at low loadings the lighter molecule has a higher binding energy as a result of an increased interaction with the framework Cu and stronger hydrogen bonding with the basic framework oxygens. This leads to selective adsorption of ethylene by a factor of about 2 at low pressure, which is overcome by the stronger van der Waals interaction of ethane at high loadings, explaining recent literature data. The results suggest the possibility of separation of light hydrocarbons at low pressures or in trace amounts.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 2687 |
| Deposited On: | 08 Oct 2010 09:03 |
| Last Modified: | 17 May 2011 05:52 |
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