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Metal ion binding with dehydroannulenes — Plausible two-dimensional molecular sieves

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Abstract

Theoretical investigations have been carried out at B3LYP/6-311++G** level of theory to study the binding interaction of various metal ions, Li+, Na+ and K+ with dehydroannulene systems. The present study reveals that alkali metal ions bind strongly to dehydroannulenes and the passage through the central cavity is controlled by the size of metal ion and dimension of dehydroannulene cavity.

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Authors and Affiliations

  1. Molecular Modeling Group, Organic Chemical Sciences, Indian Institute of Chemical Technology, Hyderabad, 500 007, India

    B. Sateesh, Y. Soujanya & G. Narahari Sastry

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  1. B. Sateesh
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  2. Y. Soujanya
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  3. G. Narahari Sastry
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Correspondence to G. Narahari Sastry.

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Sateesh, B., Soujanya, Y. & Sastry, G.N. Metal ion binding with dehydroannulenes — Plausible two-dimensional molecular sieves. J Chem Sci 119, 509–515 (2007). https://doi.org/10.1007/s12039-007-0064-y

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  • DOI: https://doi.org/10.1007/s12039-007-0064-y

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