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. Kim

Research output: Contribution to journalArticlepeer-review

45 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)127-135
Number of pages9
JournalTheoretical Chemistry Accounts
Volume115
Issue number2-3
DOIs
StatePublished - Mar 2006
Externally publishedYes

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

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