Neutron diffraction study of concentrated aqueous lithium benzoate solutions

Kameda, Yasuo; Mochiduki, Kazuhide; Imano, Masahiro; Naganuma, Hisashi; Sasaki, Motoya; Amo, Yuko; Usuki, Takeshi

doi:10.1016/j.molliq.2004.10.023

Cited by 15 publications

(11 citation statements)

References 44 publications

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“…The present values of r LiO and r LiD for the nearest neighbor Li þ ÁÁÁD 2 O interaction are in reasonable agreement with those reported in various aqueous solutions. [28][29][30][31][32][33][34] However, the present value of n LiO (=2.42 (5)) is much smaller than the value 4-6 found for more dilute aqueous LiCl [28][29][30] and LiBr 31,32 solutions in which Li þ does not form contact ion pairs. The fact confirms that the first hydration shell of Li þ involves the alaninate ion in the present solution.…”

Section: Resultscontrasting

confidence: 64%

Structure of Highly Concentrated Aqueous Lithium Alaninate Solutions Studied by Neutron Diffraction with 14N/15N, 6Li/7Li, and H/D Isotopic Substitution Methods

Kameda

Sasaki

Amo

et al. 2006

Bulletin of the Chemical Society of Japan

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(1) , respectively.The structural properties of interactions between amino acid molecules and metal ions have received a lot of attention because of their importance in extensive fields of chemical and biological sciences. A large number of crystallographic data have been accumulated for various chelate complexes of amino acids with transition-metal ions, in which the amino acid molecule coordinates as a bidentate ligand binding through both amino-nitrogen and carboxyl-oxygen atoms.1 The complex formation of the glycinate ion with Ni 2þ , Cu 2þ , and Zn 2þ in aqueous solution has been investigated by X-ray diffraction 2-4 and EXAFS 5 methods. It has been reported that the coordination of these metal complexes is also accomplished as a bidentate chelate through the N and O atoms of the glycinate ion. An X-ray diffraction study on Zn(II) complexes with the -alaninate ion in aqueous solution has revealed that the alaninate ion exhibits bidentate coordination. 6 A relatively small number of structural investigations have reported on the interaction between alkali metal ions and amino acid molecules. According to a theoretical study on the gas-phase complexes of the glycine molecule with Li þ and Na þ , the lowest energy species corresponds to a five-membered ring in which Li þ and Na þ are coordinated to both N and O atoms of the glycine molecule. 7 On the other hand, recent single crystal X-ray diffraction results of sodium nitrate-glycine (1/1) have shown that the zwitterionic glycine molecule coordinates as a monodentate ligand to the sodium ion through a carboxyl-oxygen atom of the glycine molecule. 8 The coordination structure of amino acid with the alkali metal ion in aqueous solution has not yet been reported.In the present paper, we describe the results of TOF neutron diffraction measurements on aqueous 18 mol % lithium alaninate heavy water solutions.14 N/ 15 N, 6 Li/ 7 Li, H M /D M , and H M 0 /D M 0 isotopically substituted samples were employed in order to obtain information on the environmental structure around the substituted atom. Structural parameters concerning the first hydration shell of Li þ and those of the amino-nitrogen, the methyl-hydrogen, and the methine-hydrogen atoms of the alaninate ion were determined from the least squares fitting analyses of observed first-order difference functions, Á N ðQÞ, Á Li ðQÞ, Á HM ðQÞ, and Á H M 0 ðQÞ.

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Section: Resultscontrasting

confidence: 64%

Structure of Highly Concentrated Aqueous Lithium Alaninate Solutions Studied by Neutron Diffraction with 14N/15N, 6Li/7Li, and H/D Isotopic Substitution Methods

Kameda

Sasaki

Amo

et al. 2006

Bulletin of the Chemical Society of Japan

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“…One possible effect is that the aromatic character contributes to the somewhat larger total adsorption of benzoate through the protons on the aromatic ring. These protons have been shown to be involved in weak hydrogen-bonding interactions (Kameda et al, 2005) and thus may increase the stability of the surface hydration-shared surface complexes by acting as weak hydrogen bond donors.…”

Section: Discussionmentioning

confidence: 99%

“…Neutron diffraction studies have shown that carboxylate groups of aqueous acetate and benzoate ions are hydrated by 4-5 water molecules through hydrogen-bonding interactions (Kameda et al, 2004(Kameda et al, , 2005. These interactions have a pronounced effect on the IR spectra of the aqueous species, which becomes evident when comparing the spectra of H 2 O Table 4 Results from the asynchronous plot of acetate adsorbed on goethite…”

Section: Surface Bonding Modesmentioning

confidence: 99%

Adsorption of monocarboxylates at the water/goethite interface: The importance of hydrogen bonding

Norén

Persson

2007

Geochimica et Cosmochimica Acta

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“…However, we recently demonstrated that lithium ion predominantly exists as a 4-coordinated structure in propylene carbonate solutions by neutron diffraction with the 6/7 Li isotope substitution technique. 35 According to previously reported neutron scattering studies, 4-coordinated structures of Li + ion would be favorable species in aqueous solutions 36 and in nonaqueous solutions. 37 Compared with the solvation structures in conventional molecular solvent solutions, the similar 4-coordinated structure of Li + ion in ionic liquids seems to be reasonable.…”

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confidence: 84%

Raman Spectroscopic Study on Alkaline Metal Ion Solvation in 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)amide Ionic Liquid

et al. 2008

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Neutron diffraction study of concentrated aqueous lithium benzoate solutions

Cited by 15 publications

References 44 publications

Structure of Highly Concentrated Aqueous Lithium Alaninate Solutions Studied by Neutron Diffraction with 14N/15N, 6Li/7Li, and H/D Isotopic Substitution Methods

Structure of Highly Concentrated Aqueous Lithium Alaninate Solutions Studied by Neutron Diffraction with 14N/15N, 6Li/7Li, and H/D Isotopic Substitution Methods

Adsorption of monocarboxylates at the water/goethite interface: The importance of hydrogen bonding

Raman Spectroscopic Study on Alkaline Metal Ion Solvation in 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)amide Ionic Liquid

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