TY - JOUR T1 - Borazine as a sensor for fluoride ion: a computational and experimental study JF - Tetrahedron Letters Y1 - 2011 A1 - Kesharwani, Manoj K. A1 - Suresh, Moorthy A1 - Das, Amitava A1 - Ganguly, Bishwajit AB -

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.

VL - 52 IS - 28 U2 -

Council of Scientific & Industrial Research (CSIR) - India

U3 - Foreign U4 - 2.683 ER -