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The geometrical and electronic structure of the arsenious acid molecule As(OH)3 in aqueous solutions has been investigated by x-ray absorption spectroscopy (XAS) within extended x-ray absorption spectroscopy (EXAFS) and x-ray absorption near edge structure (XANES), using realistic first-principle calculations in the latter case. This investigation was performed on aqueous solutions of arsenious acid from ambient to supercritical conditions (P=250 and 600 bars, T≤500 °C) using a new optical cell. The analysis of the XAS spectra is consistent with (1) a constant As-O distance, (2) an opening of the O-As-O angles within the C3V pyramidal structure in the range 30–200 °C. This structural evolution comes along with a small decrease of the partial charges of the atoms in the As(OH)3 molecule. The explanation invoked for both structural and electronic modifications observed is the weakening of the interactions, through hydrogen bonds, between the As(OH)3 complex and water molecules. This is a fingerprint of the similar weakening of hydrogen bonding interactions in the solvent itself. © 2004 American Institute of Physics. [ABSTRACT FROM AUTHOR]

Abstract: Thermal bump arising at illuminated area of a water cooled monochromator crystal can be considerably reduced by designing an appropriate shape. Temperature and deformation have been simulated by finite element analysis (FEA) computations as a function of few geometrical parameters describing the shape of the crystal. As a result, a new crystal shape has been found which optimizes the throughput of a double crystals monochromator (DCM). Performances of the initial rectangular crystal and the new designed crystal predicted by FEA-based calculations and measured during experimental tests on a synchrotron beamline are reported. General design principles to overcome heat load issues and the objective function using the slope errors derived from FEA results are detailed. Current and foreseen performances at higher load are presented. Finally, advantages and limits of this simple-to-design and cheap solution are discussed. [Copyright &y& Elsevier]