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http://hdl.handle.net/123456789/2453Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dhindhwal, V. | - |
| dc.contributor.author | Sathyamurthy, N. | - |
| dc.date.accessioned | 2020-12-01T10:18:12Z | - |
| dc.date.available | 2020-12-01T10:18:12Z | - |
| dc.date.issued | 2016 | - |
| dc.identifier.citation | Journal of Chemical Sciences, 128(10),pp.1597–1606. | en_US |
| dc.identifier.other | 10.1007/s12039-016-1164-3 | - |
| dc.identifier.uri | https://link.springer.com/article/10.1007%2Fs12039-016-1164-3 | - |
| dc.identifier.uri | http://hdl.handle.net/123456789/2453 | - |
| dc.description.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. | en_US |
| dc.language.iso | en | en_US |
| dc.publisher | Springer Link | en_US |
| dc.subject | Hydration | en_US |
| dc.subject | Cation-π interaction | en_US |
| dc.subject | Qualitative | en_US |
| dc.title | The Effect of Hydration on the Cation-π Interaction Between Benzene and Various Cations | en_US |
| dc.type | Article | en_US |
| Appears in Collections: | Research Articles | |
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|---|---|---|---|---|
| Need to add pdf.odt | 8.63 kB | OpenDocument Text | View/Open |
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