Water spectra fitted parameters

Choosing room temperature as 20.2°C, we depict in Fig. 5a the wideband absorption frequency dependence a(v) of water H20 and in Fig. 6a we depict that of water D20. The fitted parameters of the model are presented in Table II. The total loss spectrum e"(v) is shown in Figs. 5b and 6b, respectively, for OW and HW. The solid lines in Figs. 5a,b and 6a,b mark the results of our calculations. 

The AOM has recently been used in the analysis of the polarized crystal spectrum of aquobis(l,10-phenanthroline)coppei(II) nitrate (127), where the coordination geometry is trigonal bipyramidal. The water molecule occupies an equatorial position, so that the appropriate point group is C2 although C2v is a reasonable approximation. However, it was found impossible to fit the spectrum with AOM parameters which could be regarded as chemically meaningful. 

Fig. 6.9. A Spontaneous Raman spectrum of d62-DPPC lipids and its decomposition into Lorentzian line profiles. B Normalized multiplex CARS spectra (dots) of a planar-supported bilayer and monolayer formed by d62-DPPC on a glass-water interface for parallel-polarized input beams, together with the fit using the center frequency and line width parameters extracted from the decomposition analysis in (A) (solid line). The spectrum exposure time was 0.64 s. Error bars indicate the shot-noise standard deviation (Copyright American Chemical Society [70])...

In Fig. 2a we depict the wideband loss spectrum of water calculated in terms of the hat model for room temperature (27°C). For ice at —7°C a similar calculation (but in a much narrower band) is presented in Fig. 2b. The fitted molecular parameters are presented in Table I (some of these parameters will be determined below). During the lifetime Tor a dipole performs in water and ice about two librations and about six librations in supercooled water (mor = 5.6). 

Figure 3.13. Comparison of solvation time correlation function S t) and C i) for dye C343 in water. The dashed line shows the experimental result (labeled as expt). The MD simulation result is labeled Aq. Also shown is a simulation for solvation of a neutral atomic solute with the Lennard-Jones parameters of the water oxygen atom (S°). The experimental data were fitted to Eq. (3.9) (using the constraint that the long-time spectrum matched the steady-state fluorescence spectrum) as a Gaussian component (fi equency 38.5 ps 48% of total amplitude) and a sum of two exponential components 126 (20%) and 880 (35%) fs. Adapted with permission from Nature, 369 (1994), 471. Copyright(1994) Nature Publishing Group.

Fig. 3 SANS spectrum from a sample of <)> = 0.02, where the scattering length density of the oil is matched to that of water. The solid line is the best two parameter fit with a form factor of a shell yielding the radius = 75 A and Gaussian relative standard deviation

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