Precedent and theory unite in the hypothesis of a highly selective fluoride receptor

Mark Mascal

doi:10.1002/anie.200504417

Precedent and theory unite in the hypothesis of a highly selective fluoride receptor

Mark Mascal

Chemistry

Research output: Contribution to journal › Article › peer-review

99 Scopus citations

Abstract

Room for a small one: A series of [1,3,5]cyclophane-based receptors incorporating triazine, cyanuric acid, or boroxine rings are predicted to strongly complex fluoride ions by a combination of anion-π interactions and ion-pair reinforced hydrogen bonding, while size-excluding the larger chloride anion. The top view of a calculated structure of the triazine cage with an included fluoride ion is shown. (Figure Presented).

Original language	English (US)
Pages (from-to)	2890-2893
Number of pages	4
Journal	Angewandte Chemie - International Edition
Volume	45
Issue number	18
DOIs	https://doi.org/10.1002/anie.200504417
State	Published - Apr 28 2006

Keywords

Ab initio calculations
Anions
Cyclophanes
Host-guest systems
Hydrogen bonding

ASJC Scopus subject areas

Chemistry(all)

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10.1002/anie.200504417

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KW - Host-guest systems

KW - Hydrogen bonding

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