Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-7<sup>1</sup><sup>a</sup>

Bryan, Jeffrey C.; Sachleben, Richard A.; Lavis, Jérôme M.; Davis, Matthew C.; Burns, John H.; Hay, Benjamin P.

doi:10.1021/ic9714908

Cited by 36 publications

(20 citation statements)

References 38 publications

(49 reference statements)

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“…As is obvious from Table 1, the stability of the 1:1 complexes decreases in the order Rb þ . A more or less similar stability trend for the formation of alkali ion complexes with tribenzo-21-crown-7 has already been reported in the literature (Bryan et al 1998). Cs þ .…”

Section: Preliminary Studiessupporting

confidence: 81%

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

et al. 2005

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Solution studies on the binding properties of dibenzo-21-crown-7 (DB21C7) with alkali metal and ammonium ions revealed the occurrence of a selective 1:1 complexation of the ligand with Rb þ ion. Consequently, DB21C7 was used as a suitable ionophore for the preparation of novel polymeric membrane (PME) and coated graphite (CGE) Rb þ -selective electrodes. The electrodes exhibit near-Nernstian behavior for Rb þ -ions over concentration ranges of 5.0 Â 10 25 to 1.0 Â 10 21 M for PME and 1.0 Â 10 25 to 5.0 Â 10 22 M for CGE with limits of detection of 1.5 Â 10 25 M for PME and 7.1 Â 10 26 M for CGE. The proposed potentiometric sensors possess response times of ,40 s and can be used for at least 7 weeks without observing any deviation. The electrodes revealed comparatively good selectivities with respect to many alkali, alkaline earth, transition, and heavy metal ions. The working pH range of the electrodes is 3.5-8.0.

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Section: Preliminary Studiessupporting

confidence: 81%

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

et al. 2005

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“…The structures of the crown ether complexes considered in this article have been optimized at the HF and DFT levels. The starting structures have been selected from X‐ray crystallographic data31 for bistertbutyl‐benzo‐21crown7 ( 1 ), its corresponding Rb + complex ( 2 ) and tribenzo‐21crown7‐Cs + complex ( 3 ). The considered structures are schematized in Figure 2.…”

Section: Methods Of Computationmentioning

confidence: 99%

“…The size of the cavity did not appear to be a factor governing the complex stability. Another theoretical study on 21C7 benzo derivatives and their rubidium and cesium complexes was carried out by Bryan et al31 using Molecular Mechanics. The relative steric energy of the ligands was correlated with the ligand/cation complementarity, and the authors concluded that the preference for Rb + over Cs + results from a balance between steric and electronic factors.…”

Section: Introductionmentioning

confidence: 99%

Rb⁺/Cs⁺ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study

2002

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A density functional study has been performed on Rb(+) and Cs(+) complexes of mono and tribenzo derivatives of the 21Crown7 crown ether. Calculations have been carried out using the B3LYP functional together with a split valence basis set with additional polarization and diffuse functions. The cations have been described with effective core potentials. Structures of the tribenzo-21Crown7 are compared to X-ray data. The Rb(+)/Cs(+) affinity of the benzo and tribenzo derivatives in gas phase is discussed on the basis of binding energies, strain energies, and electrostatic contributions. For the first time, a detailed description of the effect arising from the presence of benzo groups is described. On one hand, the benzo groups decrease the electronic density on the ether oxygen atoms. On the other hand, they confer a stronger electronic polarizability to the ligand. The energetic analysis shows that the polarization contributions play a crucial role and reach up to 29% of the total electrostatic energy.

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“…20 Alkyl substitution of benzo substitutents is often carried out to enhance lipophilicity of the crown ether and rarely alters the extraction characteristics of the ligand. While minor conformational differences between the tert-butyl-substituted and unsubstituted tribenzo-21-crown-7 are noted, overall the conformations are quite similar.…”

Section: -7012mentioning

confidence: 99%

Polybenzocrown ethers: synthesis by cesium-assisted cyclization and solid-state structures

Hanes¹,

Ellingsworth²,

Griffin³

et al. 2010

Arkivoc

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A series of large-ring polybenzocrown ethers is prepared by cesium-assisted cyclizations. Reactions of diphenols/bisphenols, dimesylates of oligoethylene glycols and cesium carbonate in MeCN produce the large-ring polybenzocrown ethers in high yields. To gain further insight into the structures of these compounds, solid-state structures of three large-ring crown ethers are obtained by X-ray diffraction.

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Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-7¹^a

Cited by 36 publications

References 38 publications

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

Rb⁺/Cs⁺ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study

Polybenzocrown ethers: synthesis by cesium-assisted cyclization and solid-state structures

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Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-71a

Cited by 36 publications

References 38 publications

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

PVC Membrane and Coated Graphite Potentiometric Sensors Based on Dibenzo‐21‐Crown‐7 for Selective Determination of Rubidium Ions

Rb+/Cs+ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study

Polybenzocrown ethers: synthesis by cesium-assisted cyclization and solid-state structures

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Structural Aspects of Rubidium Ion Selectivity by Tribenzo-21-crown-7¹^a

Rb⁺/Cs⁺ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study