Anomalous X-ray diffraction studies of hydration effects in concentrated aqueous electrolyte solutions

Ramos, Silvia; Barnes, Adrian C; Neilson, G. W.; Capitán, M. J.

doi:10.1016/s0301-0104(00)00132-4

Cited by 41 publications

(42 citation statements)

References 21 publications

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“…However, the only application to investigations of solution structure that we are aware of has been with X-rays [21]. Although the technique was in principle known about in the 1930s, its application to liquids has been greatly facilitated by the commissioning of diffraction instruments on a 3rd generation synchrotron source sited the ESRF facility in Grenoble, France.…”

Section: Anomalous Scatteringmentioning

confidence: 99%

“…The peak positions, however, remain unchanged by the convolution process. Despite these drawbacks, we have shown that it is possible to obtain accurate information on interatomic correlations and coordination numbers [4,21]. The anomalous X-ray diffraction (AXD) method becomes exact at the second difference level such as might be used to calculate the solute structure, and provide information to test primitive model calculations of ion structures in solutions.…”

Section: Anomalous Scatteringmentioning

confidence: 99%

“…However, with an atomic number of 37 it is a strong scatterer of X-rays and recently an aqueous solution of 4 m rubidium chloride has been studied by the AXD technique [21]. The total radial distribution function, G Rb (r), of Rb + is relatively short-ranged (Fig.…”

Section: Rb +mentioning

confidence: 99%

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X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

Ansell

Barnes

Mason

et al. 2006

Biophysical Chemistry

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123

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Section: Anomalous Scatteringmentioning

confidence: 99%

Section: Anomalous Scatteringmentioning

confidence: 99%

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X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

Ansell

Barnes

Mason

et al. 2006

Biophysical Chemistry

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123

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“…Information at the partial structure factor level can therefore be obtained by using AXS, 12,13 by mixing the results obtained from X-ray and neutron diffraction experiments, [14][15][16] or by using the NDIS method. 17 In the following, the focus is on the contribution that NDIS can play in providing information at the partial structure factor level for liquids and glasses.…”

mentioning

confidence: 99%

“…The amplitudes are related by |A aa ||A bb | = |A ab | 2 and the phases are related by y aa + y bb = 2y ab . By using the definition of the total pair-distribution function given by eqn (12) it follows that 119 The arrows point to small prepeaks in S N (k) at C1.3 and 1.6 Å À1 for the Au-Ge and Ag-Ge alloys, respectively, and the insets show an expanded view of the low-k region for S N (k). The total structure factors S X (k) as measured for the liquid alloys at similar temperatures by using high-energy X-ray diffraction are also shown (solid light (red) curves).…”

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confidence: 99%

Identifying and characterising the different structural length scales in liquids and glasses: an experimental approach

Salmon

Zeidler

2013

Phys. Chem. Chem. Phys.

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The structure of several network-forming liquids and glasses is considered, where a focus is placed on the detailed information that is made available by using the method of neutron diffraction with isotope substitution (NDIS). In the case of binary network glass-forming materials with the MX 2 stoichiometry (e.g. GeO 2 , GeSe 2 , ZnCl 2 ), two different length scales at distances greater than the nearest-neighbour distance manifest themselves by peaks in the measured diffraction patterns. The network properties are influenced by a competition between the ordering on these ''intermediate'' and ''extended'' length scales, which can be manipulated by changing the chemical identity of the atomic constituents or by varying state parameters such as the temperature and pressure. The extended-range ordering, which describes the decay of the pair-correlation functions at large-r, can be represented by making a pole analysis of the Ornstein-Zernike equations, an approach that can also be used to describe the large-r behaviour of the pair-correlation functions for liquid and amorphous metals where packing constraints are important. The first applications are then described of the NDIS method to measure the detailed structure of aerodynamically-levitated laser-heated droplets of ''fragile'' glass-forming liquid oxides (CaAl 2 O 4 and CaSiO 3 ) at high-temperatures (B2000 K) and the structure of a ''strong'' network-forming glass (GeO 2 ) under pressures ranging from ambient to B8 GPa. The high-temperature experiments show structural changes on multiple length scales when the oxides are vitrified. The high-pressure experiment offers insight into the density-driven mechanisms of network collapse in GeO 2 glass, and parallels are drawn with the high-pressure behaviour of silica glass. Finally, the hydrogen-bonded network of water is considered, where the first application of the method of oxygen NDIS is used to measure the structures of light versus heavy water and a difference of C0.5% is found between the O-D and O-H intra-molecular bond lengths. The experimental data are best matched by using path integral molecular dynamics simulations with a flexible anharmonic water model, and the results support a competing quantum effects model for water in which its structural and dynamical properties are governed by an offset between intra-molecular and inter-molecular quantum contributions.

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Untersuchung von Ionenhydratation und Ionenpaarbildung mittels THz‐Spektroskopie

2018

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Die Hydratation von Ionen ist wichtig für das Verständnis fundamentaler Prozesse. Die Verlangsamung der Dynamik von H‐Brücken in der Umgebung von Anionen und Kationen wurde bereits mit verschiedensten spektroskopischen Methoden untersucht. Dieser Aufsatz beschreibt THz‐FTIR‐Spektroskopie als wichtige Methode, um noch offene Fragen zu klären. Durch eine geschickte Zerlegung von THz‐Spektren können sowohl charakteristische Schwingungen von stark hydratisierten Ionen in ihrem umgebenden “Solvatkäfig” als auch die schwingungsinduzierten Ladungsfluktuationen von schwach solvatisierten Ionen separiert werden. Eine weitergehende Analyse liefert zudem Informationen zur Kooperativität von Kationen und Anionen, der Größe der dynamischen Hydrathülle sowie den Lebensdauern kollektiver Ionen‐Solvatwasser‐Moden und der Zustände des damit verbundenen thermischen Bades. Durch Hinweise auf nicht‐additives Verhalten wird das vereinfachende Hofmeister‐Modell infrage gestellt. Für hohe Salzkonzentrationen wurde mittels THz‐Spektroskopie Ionenpaarbildung beobachtet und quantifiziert.

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Anomalous X-ray diffraction studies of hydration effects in concentrated aqueous electrolyte solutions

Cited by 41 publications

References 21 publications

X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

X-ray and neutron scattering studies of the hydration structure of alkali ions in concentrated aqueous solutions

Identifying and characterising the different structural length scales in liquids and glasses: an experimental approach

Untersuchung von Ionenhydratation und Ionenpaarbildung mittels THz‐Spektroskopie

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