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Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water
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View: Figures


Image of FIG. 1.
FIG. 1.

The histogram shows the distribution of the intra- and intermolecular couplings.

Image of FIG. 2.
FIG. 2.

The linear absorption spectra calculated with the TAA (taken from Ref. 12) and NISE methods compared with the experimental data (Ref. 34).

Image of FIG. 3.
FIG. 3.

The experimental 2DIR parallel-polarization spectra of bulk water from Ref. 26 (left) and the calculated 2DIR parallel-polarization spectra of bulk water (middle) and HOD in (right) at different waiting times. The contours are plotted equidistantly at 10% intervals between and of the signal. Red contours indicate excited-state absorption and blue contours indicate negative absorption (bleach).

Image of FIG. 4.
FIG. 4.

The normalized frequency TCFs calculated for independent sites and including population transfer according to Eq. (12). The population decay, , is plotted as a dotted line for comparison.

Image of FIG. 5.
FIG. 5.

The anisotropy calculated from the simulated pump-probe spectrum as in Eq. (13) (full line) compared with the result without coupling (dashed line), as would be appropriate for HOD in . The experimental data from Refs. 25 and 26, scaled to start at 0.4, are given with boxes and circles, respectively.


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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Two-dimensional infrared spectroscopy and ultrafast anisotropy decay of water