Anion Binding by Bambus[6]uril Probed in the Gas Phase and in Solution

Electrospray ionization mass spectrometry (ESI-MS) is used to probe the binding of small anions to the macrocycle of bambus[6]uril. For the halide ions, the experimental patterns suggest F– < Cl– < Br– < I–, which is consistent with the order of anion binding found in the condensed phase. P...

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Bibliographic Details
Published in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2011-10, Vol.115 (41), p.11378-11386
Main Authors: Révész, Ágnes, Schröder, Detlef, Svec, Jan, Wimmerová, Michaela, Sindelar, Vladimir
Format: Article
Language:English
Subjects:
Anions
Anions - chemistry
Binding
Binding Sites
Condensing
Constants
Gases - chemistry
Halides
Imidazoles - chemistry
Macrocyclic Compounds - chemistry
Models, Molecular
Molecular Structure
Sampling
Solutions
Solvents
Spectrometry, Mass, Electrospray Ionization
Spectroscopy
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Summary:Electrospray ionization mass spectrometry (ESI-MS) is used to probe the binding of small anions to the macrocycle of bambus[6]uril. For the halide ions, the experimental patterns suggest F– < Cl– < Br– < I–, which is consistent with the order of anion binding found in the condensed phase. Parallel equilibrium studies in the condensed phase establish the association constants of halide anions and bambus[6]uril in mixed solvents. A detailed analysis of the mass spectrometric data is used to shed light on the correlations between the binding constants in the condensed phase and the ion abundances observed using ESI-MS. From the analysis it becomes apparent that ESI-MS can indeed represent the situation in solution to some extent, but the sampling in the gas-phase experiment is not 1:1 compared to that in solution.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp205218k