Kesharwani, Manoj K. ; Suresh, Moorthy ; Das, Amitava ; Ganguly, Bishwajit (2011) Borazine as a sensor for fluoride ion: a computational and experimental study Tetrahedron Letters, 52 (28). pp. 3636-3639. ISSN 0040-4039
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.tetlet.2011.05.018
Abstract
The computational and experimental studies have revealed that even simple molecule like borazine can act as a sensor for fluoride ions. This study further reported the various binding modes of analytes using quantum chemical calculations and the nature of such interactions have been examined using electron density surface analysis. Total charge transfer analysis (qCT) correlates well with the binding affinities of analytes with the borazine receptor.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Borazine; Ab Initio; Fluoride Sensor; Solvent |
| ID Code: | 59921 |
| Deposited On: | 07 Sep 2011 14:20 |
| Last Modified: | 07 Sep 2011 14:20 |
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