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

被引：49

作者：

Singh, NJ ^{[1
]}

Olleta, AC ^{[1
]}

Kumar, A ^{[1
]}

Park, M ^{[1
]}

Yi, HB ^{[1
]}

Bandyopadhyay, I ^{[1
]}

Lee, HM ^{[1
]}

Tarakeshwar, P ^{[1
]}

Kim, KS ^{[1
]}

机构：

[1] Pohang Univ Sci & Technol, Natl Creat Res Ctr Superfunct Mat, Dept Chem, Div Mol & Life Sci, Pohang 790784, South Korea

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 2006年 / 115卷 / 2-3期

关键词：

D O I：

10.1007/s00214-005-0057-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：127 / 135

页数：9

共 153 条

[1] SPECTRUM AND STRUCTURE OF WATER-RICH WATER HYDRACID COMPLEXES FROM MATRIX-ISOLATION SPECTROSCOPY - EVIDENCE FOR PROTON-TRANSFER [J].