Title of article
Borazine as a sensor for fluoride ion: a computational and experimental study
Author/Authors
Kesharwani، نويسنده , , Manoj K. and Suresh، نويسنده , , Moorthy and Das، نويسنده , , Amitava and Ganguly، نويسنده , , Bishwajit، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2011
Pages
4
From page
3636
To page
3639
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.
Keywords
Borazine , Ab initio , Fluoride sensor , solvent
Journal title
Tetrahedron Letters
Serial Year
2011
Journal title
Tetrahedron Letters
Record number
1878728
Link To Document