Ring inversion kinetics of p-sulfonatocalix[4]arene and of its Ca(ii) and La(iii) complexes in water and water-acetone solutions

文献情報

出版日 2004-02-16

DOI 10.1039/B314183G

インパクトファクター 3.676

著者

Yaël Israëli, Christian Detellier

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要旨

The kinetics of the ring inversion of p-sulfonatocalix[4]arene and of its La(III) and Ca(II) 1 ∶ 1 complexes have been studied by 1H NMR in D2O and in a binary mixture 50 ∶ 50% w/w D2O ∶ (CD3)2CO. The exchange between the axial and the equatorial methylene protons was followed. The ring inversion is slowed down in the binary mixture, and in the presence of Ca(II) and La(III) with a larger effect in the latter case. The results of this study are in agreement with a coordination of the sulfonate groups to the second sphere of coordination of the cations. The effect of the solvent and of the cations on the ring inversion rates is purely entropic, with entropies of activation ranging from 2 to 51 J K−1 mol−1, while the enthalpies of activation are constant in the limits of experimental errors, around 60 kJ mol−1. It is proposed that the entropy control of the ring inversion results from the breaking of the structure of the water molecules forming the solvent cage around the calixarene.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

Ring inversion kinetics of p-sulfonatocalix[4]arene and of its Ca(ii) and La(iii) complexes in water and water-acetone solutions

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