Reddy, A. Srinivas ; Vijay, Dolly ; Sastry, G. Madhavi ; Sastry, G. Narahari (2006) From subtle to substantial: role of metal ions on π−π interactions The Journal of Physical Chemistry B, 110 (6). pp. 2479-2481. ISSN 1520-6106
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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp060018h
Related URL: http://dx.doi.org/10.1021/jp060018h
Abstract
Quantum chemistry calculations reveal that the subtle π−π interactions, usually in the range 2−4 kcal/mol, will become substantially significant, from 6 to 17 kcal/mol, in the presence of metal ion. The metal ions have higher affinity toward a π−π dimer compared to a single π-moiety. Considering the widespread occurrence of cation−π−π motifs in chemistry and biology, as evident from the database analysis, we propose that the two key noncovalent forces, which govern the macromolecular structure, cation−π and π−π, work in concert.
Item Type: | Article |
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Source: | Copyright of this article belongs to American Chemical Society. |
ID Code: | 107322 |
Deposited On: | 02 Aug 2017 07:12 |
Last Modified: | 02 Aug 2017 07:12 |
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