Theoretical Chemistry Accounts

, Volume 115, Issue 2–3, pp 127–135 | Cite as

Study of interactions of various ionic species with solvents toward the design of receptors

  • N. Jiten Singh
  • Adriana C. Olleta
  • Anupriya Kumar
  • Mina Park
  • Hai-Bo Yi
  • Indrajit Bandyopadhyay
  • Han Myoung Lee
  • P. Tarakeshwar
  • Kwang S. KimEmail author
Regular Article


In earlier studies, the interactions of isolated ionic species with various solvents were investigated using ab initio calculations. The ionic species investigated included cations (proton, hydronium, ammonium, and metal cations) and anions (single electron, hydroxide, and halide anions). However in the present study, we investigate the interactions of these ionic species with the solvent in the presence of other competing ionic species. We also elaborate on how the information obtained from these extensive studies have been employed in designing and synthesizing various kinds of novel ionophores and receptors.


Chem Phys Water Cluster Receptor Design Alkali Metal Hydroxide 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer-Verlag 2005

Authors and Affiliations

  • N. Jiten Singh
    • 1
  • Adriana C. Olleta
    • 1
  • Anupriya Kumar
    • 1
  • Mina Park
    • 1
  • Hai-Bo Yi
    • 1
  • Indrajit Bandyopadhyay
    • 1
  • Han Myoung Lee
    • 1
  • P. Tarakeshwar
    • 1
  • Kwang S. Kim
    • 1
    Email author
  1. 1.National Creative Research Center for Superfunctional Materials, Department of Chemistry, Division of Molecular and Life SciencesPohang University of Science and TechnologyPohangKorea

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