UV-visible, 1H and 13C NMR spectroscopic studies on the interaction between protons or alkaline earth metal ions and the benzoate ion in acetonitrile

被引：15

作者：

Hojo, Masashi ^{[1
]}

Ueda, Tadaharu ^{[1
]}

Ike, Michitaka ^{[1
]}

Kobayashi, Masato ^{[2
]}

Nakai, Hiromi ^{[2
]}

机构：

[1] Kochi Univ, Dept Chem, Fac Sci, Akebono, Kochi 7808520, Japan

[2] Waseda Univ, Dept Chem & Biochem, Sch Adv Sci & Engn, Tokyo 1698555, Japan

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2009年 / 145卷 / 03期

基金：

日本学术振兴会;

关键词：

Protonated benzoic acid; Hofmeister series; Magnesium benzoate; Density functional theory; TRITYL CHLORIDES; CHEMICAL-SHIFTS; CARBOCATIONS; ACIDS; COMPLEXES; CATIONS; LITHIUM; RATES; PERCHLORATES; ELUCIDATION;

D O I：

10.1016/j.molliq.2008.06.004

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：

The interaction between protons (H+) or alkaline earth metal ions (Mg2+, Ba2+) and the benzoate ion has been examined in acetonitrile by means of UV-visible, H-1 and C-13 NMR spectroscopy. The assignments of C-13 NMR spectra for the benzoate ion (L-), benzoic acid (HL), and the protonated benzoic acid (H2L+) in acetonitrile were properly performed by means of theoretical calculations, including the influence of the acetonitrile solvent by using the self-consistent isodensity polarized continuum model and the polarized continuum model. It is demonstrated that "strong" interactions of alkaline earth metal ions (M2+=Mg2+, Ba2+) with the benzoate ion (L-) lead to the formation of mono-charged species, ML+, as well as non-charged species, ML2, in acetonitrile solution: the strong ability in coordination for alkaline earth metal ions is verified. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：152 / 157

页数：6

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