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Sketches of the solvent structure around (a) and (b) . Panels (c) and (d) show the schematic orbital diagrams for the complex and , respectively.
(a) Laser-on and laser-off x-ray absorption spectra of aqueous at . The inset shows the static (laser-off) spectrum of over a wider energy range. (b) The difference spectra at delay times of (open circles) and (filled squares). (c) Reconstructed spectra of (open circles) and (filled squares). The solid line is the absorption spectrum of . Vertical bars indicate one standard deviation.
Transient x-ray absorption difference signals for solution of NaBr observed at (open circles) and (filled squares). The lines are to guide the eye.
(a) Calculated Br–O RDF for hydrated and . Oxygen coordination numbers are indicated by arrows. The inset shows the singly occupied orbital of the bromine atom inside the embedded water cluster from our ab initio calculations. (b) The simulated XAFS spectra for hydrated and . The first oscillation corresponds to the energy range of Fig. 2(c).
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