Raman frequency dependence

Galica G E, Johnson B R, Kinsey J L and Hale M O 1991 Incident frequency dependence and polarization properties of the CH I Raman spectrum J. Phys. Chem. 95 7994-8004... 

Kastner et al. [25] also reported Raman spectra of cathode core material containing nested tubules. The spectral features were all identified with tubules, including weak D-band scattering for which the laser excitation frequency dependence was studied. The authors attribute some of the D-band scattering to curvature in the tube walls. As discussed above, Bacsa et al. [26] reported recently the results of Raman studies on oxidatively purified tubes. Their spectrum is similar to that of Hiura et al. [23], in that it shows very weak D-band scattering. Values for the frequencies of all the first- and second-order Raman features reported for these nested tubule studies are also collected in Table 1. 

The present study demonstrates that the analytic calculation of hyperpolarizability dispersion coefficients provides an efficient alternative to the pointwise calculation of dispersion curves. The dispersion coefficients provide additional insight into non-linear optical properties and are transferable between the various optical processes, also to processes not investigated here as for example the ac-Kerr effect or coherent anti-Stokes Raman scattering (CARS), which depend on two independent laser frequencies and would be expensive to study with calculations ex-plictly frequency-dependent calculations. 

To obtain Raman spectra one needs the trajectories of the pq tensor elements of the chromophore s transition polarizability. Actually, for the isotropic Raman spectrum one needs only the average transition polarizability. This depends weakly on bath coordinates and this, together with the weak frequency dependence of the position matrix element, was included in our previous calculations [13, 98, 121]. For the VV and VH spectra, others have implemented... 

In a recent experimental study involving the temperature dependences of the IR and Raman line shapes, Loparo et al. [14] confirmed that non-Condon effects are important in experimental (and theoretical ) line shapes, and they found a frequency dependence to the dipole derivative that is qualitatively similar to the form used in our work. 

A chemical reaction occurs above 1.5 GPa The sample turns black, new peaks develop in the Raman spectrum, and the absorption edge moves below 11,000cm. The recovered material has an optical band gap of 1.39eV, smaller than the band gap of polyacetylene. From the analysis of the Raman spectrum, it is seen that the C=C stretching mode completely disappears in the reaction product, while the C=N stretching band is present but at a different frequency than in cyanocetylene. In addition, the Raman bands of polyacetylene are observed with their characteristic frequency dependence on the wavelength... 

In Chapter 10, it is shown that by using symmetry considerations alone we may predict the number of vibrational fundamentals, their activities in the infrared and Raman spectra, and the way in which the various bonds and interbond angles contribute to them for any molecule possessing some symmetry. The actual magnitudes of the frequencies depend on the interatomic forces in the molecule, and these cannot be predicted from symmetry properties. However, the technique of using symmetry restrictions to set up the equations required in calculations in their most amenable form (the F-G matrix method) is presented in detail. 

The intensity of a Raman signal is governed by a number of factors, including incident laser power, frequency of the scattered radiation, efficiency of the grating (in the case of dispersive instruments) and detector, absorptivity of the materials involved in the scattering, molar scattering power of the normal mode, and the concentration of the sample. This situation is further complicated by the fact that many of these parameters are frequency-dependent, as indicated in the following equation ... 

The Raman intensity plotted against the exciting laser wavelength is called an excitation profile. Excitation profiles such as that shown in Fig. 3-21 of Chap. 3 provide important information about electronic excited states as well as symmetry of molecular vibrations. The intensity of a Raman line is maximized if strict resonance conditions are met (Section 1.15). When constructing excitation profiles, the frequency dependence of /(v) is of interest. It is difficult, however, to determine the / dependence on v from intensity changes because K and A also vary with v. 

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