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Transient x-ray absorption spectroscopy of hydrated halogen atom
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View: Figures


Image of FIG. 1.
FIG. 1.

Sketches of the solvent structure around (a) and (b) . Panels (c) and (d) show the schematic orbital diagrams for the complex and , respectively.

Image of FIG. 2.
FIG. 2.

(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.

Image of FIG. 3.
FIG. 3.

Transient x-ray absorption difference signals for solution of NaBr observed at (open circles) and (filled squares). The lines are to guide the eye.

Image of FIG. 4.
FIG. 4.

(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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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Transient x-ray absorption spectroscopy of hydrated halogen atom