Literature DB >> 23614429

Solvation structures of protons and hydroxide ions in water.

Chen Chen1, Congcong Huang, Iradwikanari Waluyo, Dennis Nordlund, Tsu-Chien Weng, Dimosthenis Sokaras, Thomas Weiss, Uwe Bergmann, Lars G M Pettersson, Anders Nilsson.   

Abstract

X-ray Raman spectroscopy (XRS) combined with small-angle x-ray scattering (SAXS) were used to study aqueous solutions of HCl and NaOH. Hydrated structures of H(+) and OH(-) are not simple mirror images of each other. While both ions have been shown to strengthen local hydrogen bonds in the hydration shell as indicated by XRS, SAXS suggests that H(+) and OH(-) have qualitatively different long-range effects. The SAXS structure factor of HCl (aq) closely resembles that of pure water, while NaOH (aq) behaves similar to NaF (aq). We propose that protons only locally enhance hydrogen bonds while hydroxide ions induce tetrahedrality in the overall hydrogen bond network of water.

Entities:  

Year:  2013        PMID: 23614429     DOI: 10.1063/1.4801512

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  3 in total

1.  Molecular Dynamics Simulations of Macromolecular Crystals.

Authors:  David S Cerutti; David A Case
Journal:  Wiley Interdiscip Rev Comput Mol Sci       Date:  2018-11-16

Review 2.  Protons and Hydroxide Ions in Aqueous Systems.

Authors:  Noam Agmon; Huib J Bakker; R Kramer Campen; Richard H Henchman; Peter Pohl; Sylvie Roke; Martin Thämer; Ali Hassanali
Journal:  Chem Rev       Date:  2016-06-17       Impact factor: 60.622

3.  A DFT Mechanistic Study on Base-Catalyzed Cleavage of the β-O-4 Ether Linkage in Lignin: Implications for Selective Lignin Depolymerization.

Authors:  Mary Mensah; Richard Tia; Evans Adei; Nora H de Leeuw
Journal:  Front Chem       Date:  2022-02-17       Impact factor: 5.221

  3 in total

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