Borazine as a sensor for fluoride ion: a computational and experimental study

TitleBorazine as a sensor for fluoride ion: a computational and experimental study
Publication TypeJournal Article
Year of Publication2011
AuthorsKesharwani, MK, Suresh, M, Das, A, Ganguly, B
JournalTetrahedron Letters
Volume52
Issue28
Pagination3636–3639
Date PublishedMAY
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.

DOI10.1016/j.tetlet.2011.05.018
Funding Agency

Council of Scientific & Industrial Research (CSIR) - India

Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)

2.683

Divison category: 
Organic Chemistry