Datta, Ayan ; Pati, Swapan K. (2006) Stability of cyclic (H2O)n clusters within molecular solids: role of aromaticity International Journal of Quantum Chemistry, 106 (7). pp. 1697-1702. ISSN 0020-7608
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/qua.209...
Related URL: http://dx.doi.org/10.1002/qua.20907
Abstract
Cyclic water clusters (H2O)n (n = 3-12) trapped inside organic/inorganic hosts do not correspond to the global energy minimal structures. Their closed loop connections through the H-bonds, although weakly interacting, result in diamagnetic ring currents leading to what we term "H-bonded aromaticity." Such H-bonded aromaticity in supramolecular structures generalizes the formation of such stable (H2O)n molecules confined within various host systems.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons. |
| Keywords: | Aromaticity; H-bonding; Supramolecular Chemistry; Water Clusters; NMR Calculations |
| ID Code: | 60863 |
| Deposited On: | 12 Sep 2011 07:15 |
| Last Modified: | 12 Sep 2011 07:15 |
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