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Hydrogen Bonded Structures of Confined Water Molecules and Electric Field Induced Shift of Their Equilibrium Revealed by IR Electroabsorption Spectroscopy

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Department of Chemistry, School of Science and Technology, Kwansei Gakuin University, Sanda 669-1337, Japan
Cite this: J. Phys. Chem. B 2017, 121, 22, 5573–5581
Publication Date (Web):May 17, 2017
Copyright © 2017 American Chemical Society

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    Water confined on a nanometer scale plays an essential role in various chemical and biological processes. Confined water molecules are often exposed to electric fields as manifested by those that occur on protein surfaces or in electrical double layers, but the electric field effects on confined water are not fully understood. We used IR electroabsorption (EA) spectroscopy with unprecedented sensitivity to observe electric-field-induced changes in the OH stretching absorption of water (H2O) molecules dissolved in 1,4-dioxane, which constitute a simple model system for confined water. A multivariate curve resolution analysis of the normal IR spectra (without an electric field) of water in 1,4-dioxane at different concentrations indicates the presence of the monomer and dimer of the confined water molecules and equilibrium between them. We find that the IR EA spectrum that is free from the contribution of field-induced molecular reorientation is mainly attributable to a field-induced shift of the equilibrium toward the dimer. This result demonstrates a possible control of the polarity of confined water by simply applying an external electric field and the ability of our method to elucidate how it is achieved.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpcb.7b02171.

    • SVD results, comparison of the FTIR spectra of water in 1,4-dioxane at [H2O] = 0.050 and 0.10 M, MCR–ALS analysis of the FTIR spectra of water in THF, IR spectra of H2O in the OH stretching region measured with isotopic dilution with D2O, definition of the angle χ, IR EA spectra of D2O dissolved in 1,4-dioxane, an independent set of the χ-dependent EA spectra of water in 1,4-dioxane, and comparison between the EA spectrum at χ = 55° and the first derivative of the absorption spectrum (PDF)

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    Cited By

    This article is cited by 12 publications.

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    2. Shogo Toda, Ryan Clark, Tom Welton, Shinsuke Shigeto. Observation of the Pockels Effect in Ionic Liquids and Insights into the Length Scale of Potential-Induced Ordering. Langmuir 2021, 37 (17) , 5193-5201.
    3. Szu-Hua Chen, Hirotsugu Hiramatsu. Tautomer Structures in Ketose–Aldose Transformation of 1,3-Dihydroxyacetone Studied by Infrared Electroabsorption Spectroscopy. The Journal of Physical Chemistry B 2019, 123 (50) , 10663-10671.
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    7. Yiran Sun, Fei Yu, Cong Li, Xiaohu Dai, Jie Ma. Nano-/Micro-confined Water in Graphene Hydrogel as Superadsorbents for Water Purification. Nano-Micro Letters 2020, 12 (1)
    8. Takayuki Hiraoka, Shinsuke Shigeto. Interactions of water confined in a metal–organic framework as studied by a combined approach of Raman, FTIR, and IR electroabsorption spectroscopies and multivariate curve resolution analysis. Physical Chemistry Chemical Physics 2020, 22 (32) , 17798-17806.
    9. Myong In Oh, Mayuri Gupta, Chang In Oh, Donald F. Weaver. Understanding the effect of nanoconfinement on the structure of water hydrogen bond networks. Physical Chemistry Chemical Physics 2019, 21 (47) , 26237-26250.
    10. Ilia V. Kopanichuk, Valentin A. Novikov, Aleksandr A. Vanin, Elena N. Brodskaya. The electric properties of AOT reverse micelles by molecular dynamics simulations. Journal of Molecular Liquids 2019, 296 , 111960.
    11. Moeka Oshiro, Kenji Takashima, Yukio Furukawa. Infrared Stark spectra for a Nylon 6 film. Chemical Physics Letters 2019, 728 , 32-36.
    12. Hirotsugu Hiramatsu. Electric field effects on 1-hydroxyacetone revealed by IR electroabsorption spectroscopy. Chemical Physics Letters 2019, 714 , 18-23.

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