Sateesh, B. ; Soujanya, Y. ; Sastry, G. Narahari (2007) Metal ion binding with dehydroannulenes — plausible two-dimensional molecular sieves Journal of Chemical Sciences, 119 (5). pp. 509-515. ISSN 0253-4134
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Official URL: http://www.ias.ac.in/describe/article/jcsc/119/05/...
Related URL: http://dx.doi.org/10.1007/s12039-007-0064-y
Abstract
Theoretical investigations have been carried out at B3LYP/6-311++G∗∗ level of theory to study the binding interaction of various metal ions, Li+, Na+ and K+ with dehydroannulene systems. The present study reveals that alkali metal ions bind strongly to dehydroannulenes and the passage through the central cavity is controlled by the size of metal ion and dimension of dehydroannulene cavity.
| Item Type: | Article |
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| Source: | Copyright of this article belongs to Indain Academy of Sciences. |
| Keywords: | Alkali Metals; Dehydroannulenes; Binding Energy; Penetration Barrier |
| ID Code: | 107882 |
| Deposited On: | 28 Jul 2017 06:13 |
| Last Modified: | 28 Jul 2017 06:13 |
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