DOI: 10.1063/1.3533958. The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements

The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements

10.1063/1.3533958

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

X-ray Raman scattering (XRS) spectroscopy and small angle x-ray scattering (SAXS) are used to study water in aqueous solutions of NaCl, MgCl2, and AlCl3 with the particular aim to provide information about the structure of the hydration shells of the cations. The XRS spectra show that Na+ weakens the hydrogen bonds of water molecules in its vicinity, similar to the effect of increased temperature and pressure. Mg2+ and Al3+, on the other hand, cause the formation of short and strong hydrogen bonds between the surrounding water molecules. The SAXS data show that Mg2+ and Al3+ form tightly bound hydration shells that give a large density contrast in the scattering data. From the form factors extracted from the SAXS data, we found that Mg2+ and Al3+ have, respectively, an equivalent of one and one and a half stable hydration shells that appear as a density contrast. In addition, we estimated that the density of water in the hydration shells of Mg2+ and Al3+ is, respectively, ∼61% and ∼71% higher than in bulk water.

Bibliography

Waluyo, I., Huang, C., Nordlund, D., Bergmann, U., Weiss, T. M., Pettersson, L. G. M., & Nilsson, A. (2011). The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements. The Journal of Chemical Physics, 134(6).

Authors 7

Iradwikanari Waluyo (first)
Congcong Huang (additional)
Dennis Nordlund (additional)
Uwe Bergmann (additional)
Thomas M. Weiss (additional)
Lars G. M. Pettersson (additional)
Anders Nilsson (additional)

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Dates

Type	When
Created	14 years, 6 months ago (Feb. 15, 2011, 2 a.m.)
Deposited	2 years, 1 month ago (July 19, 2023, 8:29 a.m.)
Indexed	1 week ago (Aug. 27, 2025, 11:46 a.m.)
Issued	14 years, 6 months ago (Feb. 14, 2011)
Published	14 years, 6 months ago (Feb. 14, 2011)
Published Online	14 years, 6 months ago (Feb. 14, 2011)
Published Print	14 years, 6 months ago (Feb. 14, 2011)

Funders 0

None

BibTeX

@article{Waluyo_2011, title={The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements}, volume={134}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.3533958}, DOI={10.1063/1.3533958}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Waluyo, Iradwikanari and Huang, Congcong and Nordlund, Dennis and Bergmann, Uwe and Weiss, Thomas M. and Pettersson, Lars G. M. and Nilsson, Anders}, year={2011}, month=feb }

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  "abstract": "<jats:p>X-ray Raman scattering (XRS) spectroscopy and small angle x-ray scattering (SAXS) are used to study water in aqueous solutions of NaCl, MgCl2, and AlCl3 with the particular aim to provide information about the structure of the hydration shells of the cations. The XRS spectra show that Na+ weakens the hydrogen bonds of water molecules in its vicinity, similar to the effect of increased temperature and pressure. Mg2+ and Al3+, on the other hand, cause the formation of short and strong hydrogen bonds between the surrounding water molecules. The SAXS data show that Mg2+ and Al3+ form tightly bound hydration shells that give a large density contrast in the scattering data. From the form factors extracted from the SAXS data, we found that Mg2+ and Al3+ have, respectively, an equivalent of one and one and a half stable hydration shells that appear as a density contrast. In addition, we estimated that the density of water in the hydration shells of Mg2+ and Al3+ is, respectively, \u223c61% and \u223c71% higher than in bulk water.</jats:p>",
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