Please use this identifier to cite or link to this item:
http://hdl.handle.net/123456789/2453| Title: | The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations |
| Authors: | Dhindhwal, V. Sathyamurthy, N. |
| Keywords: | Hydration Cation-π interaction Qualitative |
| Issue Date: | 2016 |
| Publisher: | Springer Link |
| Citation: | Journal of Chemical Sciences, 128(10),pp.1597–1606. |
| Abstract: | The effect of hydration on cation-π interaction in M q+ B m W n (B= benzene; W= water; M q+= Na+, K+, Mg2+, Ca2+, Al3+, 0 ≤ n,m ≤ 4,1 ≤ m + n ≤ 4) complexes has been investigated using ab initio quantum chemical methods. Interaction energy values computed at the MP2 level of theory using the 6-31G(d,p) basis set reveal a qualitative trend in the relative affinity of different cations for benzene and water in these complexes. The π–cloud thickness values for benzene have also been estimated for these systems. |
| URI: | https://link.springer.com/article/10.1007%2Fs12039-016-1164-3 http://hdl.handle.net/123456789/2453 |
| Appears in Collections: | Research Articles |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| Need to add pdf.odt | 8.63 kB | OpenDocument Text | View/Open |
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.