title: Coextraction of water into nitrobenzene with organic ions.
abstract: Various organic anions (sulfonates (RSO3(-)), carboxylates (RCO2(-)), and phenolates (RO(-))) and ammonium cations (RNH3(+), R2NH2(+), and R3NH(+)) were distributed in the nitrobenzene (NB)-water system by using Crystal Violet and dipicrylaminate, respectively. The number of water molecules (n) being coextracted into NB with an ion was then determined by the Karl Fischer method. The n values determined and those reported previously showed the variation from 0.51 to 3.4, depending on not only the charged groups but also the noncharged R-groups. In this study, we focused our attention to the strong electric field on the charged group and its facilitation effect for binding water molecules in NB. The local electric field (Ei) on the surface of an organic ion was evaluated by using Gaussian09 program with a subprogram developed in our recent study. It was found that the n values showed a clear dependence on the average value of Ei on oxygen or hydrogen atoms, respectively, of an anionic or cationic group.
authors.affiliation: †Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan.
authors.forename: Yasuhiro
authors.initials: Y
authors.lastname: Naito
authors.affiliation: †Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan.
authors.forename: Wataru
authors.initials: W
authors.lastname: Murakami
authors.affiliation: †Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan.
authors.forename: Kazuo
authors.initials: K
authors.lastname: Eda
authors.affiliation: ‡Department of Chemistry of Functional Molecules, Faculty of Science and Engineering, Konan University, Higashinada, Kobe 658-8501, Japan.
authors.forename: Masahiro
authors.initials: M
authors.lastname: Yamamoto
authors.affiliation: †Department of Chemistry, Graduate School of Science, Kobe University, Nada, Kobe 657-8501, Japan.
authors.forename: Toshiyuki
authors.initials: T
authors.lastname: Osakai