scholarly journals Structure and water exchange dynamics of hydrated oxo halo ions in aqueous solution using QMCF MD simulation, large angle X-ray scattering and EXAFS

2015 ◽  
Vol 44 (4) ◽  
pp. 1816-1828 ◽  
Author(s):  
Lars Eklund ◽  
Tomas S. Hofer ◽  
Ingmar Persson
Keyword(s):  
Aqueous Solution ◽  
Md Simulation ◽  
Water Exchange ◽  
Pure Water ◽  
Large Angle ◽  
Water Molecules ◽  
Surrounding Water ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Methods

The structure and water exchange dynamics of the hydrated oxo halo ions in aqueous solution, studied by QMCF MD simulation and experimental X-ray methods, show that they are all structure breakers, thus the hydrogen bonding between the ion and surrounding water molecules is weaker than between water molecules in pure water.

Structure and water exchange of the hydrated thiosulfate ion in aqueous solution using QMCF MD simulation and large angle X-ray scattering

2014 ◽  
Vol 43 (33) ◽  
pp. 12711-12720 ◽  
Author(s):  
Lars Eklund ◽  
Tomas S. Hofer ◽  
Alexander K. H. Weiss ◽  
Andreas O. Tirler ◽  
Ingmar Persson
Keyword(s):  
Aqueous Solution ◽  
Sulfur Atom ◽  
Md Simulation ◽  
Water Exchange ◽  
Large Angle ◽  
Sulfate Ion ◽  
Simulation Data ◽  
X Ray ◽  
X Ray Scattering ◽  
Hydration Structure

Experimental and simulation data of the thiosulfate ion show large similarities in hydration structure and mechanism with the sulfate ion but with weaker hydration of the terminal sulfur atom in thiosulfate.

The Hydration of Tungstate and Molybdate Ions in Aqueous Solution

1986 ◽  
Vol 41 (11) ◽  
pp. 1325-1329 ◽  
Author(s):  
Georg Johansson ◽  
Ruggero Caminiti
Keyword(s):  
Aqueous Solution ◽  
Crystal Structures ◽  
Hydration Shell ◽  
Large Angle ◽  
Water Molecules ◽  
X Ray ◽  
Bond Lengths ◽  
X Ray Scattering ◽  
Scattering Measurements ◽  
Ray Scattering

The structure in aqueous solution of the hydrated tungstade and molybdate ions WO42- and MoO42- has been derived from large angle X-ray scattering measurements using MoO42- as an isomorphous substituent for WO42- The W(Mo)-O bond lengths are 1.786 Å and do not differ from those found in crystal structures. A fairly well-defined hydration shell of about 12 water molecules surrounds the XO42- ions at a W(Mo)-H2O distance of 4.06 Å.

The Structure of the Hydrated Gallium(III), Indium(III), and Chromium(III) Ions in Aqueous Solution. A Large Angle X-ray Scattering and EXAFS Study

1998 ◽  
Vol 37 (26) ◽  
pp. 6675-6683 ◽  
Author(s):  
Patric Lindqvist-Reis ◽  
Adela Muñoz-Páez ◽  
Sofia Díaz-Moreno ◽  
Sidhartha Pattanaik ◽  
Ingmar Persson ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Exafs Study ◽  
Ray Scattering

scholarly journals Second-Sphere Hydration of Rhodium(III) and Chromium(III) in Aqueous Solution. A Large-Angle X-Ray Scattering and EXAFS Study.

1992 ◽  
Vol 46 ◽  
pp. 1177-1182 ◽  
Author(s):  
Michael C. Read ◽  
Magnus Sandström ◽  
Antonio de la Hoz ◽  
Johan Springborg ◽  
Markku R. Sundberg ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Exafs Study ◽  
Ray Scattering

scholarly journals A Large-angle X-Ray Scattering Study of 9-Molybdomonophosphate Complexes in Aqueous Solution.

1978 ◽  
Vol 32a ◽  
pp. 407-414 ◽  
Author(s):  
Georg Johansson ◽  
Lage Pettersson ◽  
Nils Ingri ◽  
Elina Näsäkkälä ◽  
Otto Bastiansen ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Large Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Scattering Study ◽  
Ray Scattering

An X-Ray Diffraction Study on an Aqueous Solution of CdSO4 at 9 and 62 °C

1981 ◽  
Vol 36 (10) ◽  
pp. 1062-1066
Author(s):  
Ruggero Caminiti
Keyword(s):  
Aqueous Solution ◽  
Diffraction Study ◽  
Structural Unit ◽  
Water Molecules ◽  
Liquid Sample ◽  
X Ray Diffraction ◽  
Experimental Distribution ◽  
X Ray ◽  
X Ray Scattering ◽  
Increasing Temperature

The X-Ray scattering of a 2 M aqueous solution CdSO4 has been measured at 9 and 62 °C in a “Θ-Θ” transmission arrangement with a plane-parallel liquid sample. The experimental distribution curves show main peaks at about 1.5, 2.3, 2.8, 3.5, and 4.35 Å. The 3.5 A peak reveals the formation of inner sphere cadmium-sulphate complexes Cd(H2O)6-z(OSO3)z+2-2z, in which oxygens from sulphate groups substitute z water molecules of the hydrated Cd(H2O)62+ ions. Least squares refinements of the i(s) curves are consistent with a structural unit in which the sulphate tetrahedron shares a corner with one cadmium octahedron with Cd-O-S angle of 133 deg. The average number (z) of coordinated sulphate ions increases with increasing temperature.

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