INDEX vibrational spectroscopy

It should, however, be noted that there exist rather complex and nontransparent descriptions made [15] in terms of the absorption vibration spectroscopy of water. This approach takes into account a multitude of the vibration lines calculated for a few water molecules. However, within the frames of this method for the wavenumber1 v < 1000 cm-1, it is difficult to get information about the time/spatial scales of molecular motions and to calculate the spectra of complex-permittivity or of the complex refraction index—in particular, the low-frequency dielectric spectra of liquid water. 

With the ever-increasing need to improve quality and productivity in the analytical pharmaceutical laboratory, automation has become a key component. Automation for vibrational spectroscopy has been fairly limited. Although most software packages for vibrational spectrometers allow for the construction of macro routines for the grouping of repetitive software tasks, there is only a small number of automation routines in which sample introduction and subsequent spectral acquisition/data interpretation are available. For the routine analysis of alkali halide pellets, a number of commercially available sample wheels are used in which the wheel contains a selected number of pellets in specific locations. The wheel is then indexed to a sample disk, the IR spectrum obtained and archived, and then the wheel indexed to the next sample. This system requires that the pellets be manually pressed and placed into the wheel before automated spectral acquisition. A similar system is also available for automated liquid analysis in which samples in individual vials are pumped onto an ATR crystal and subsequently analyzed. Between samples, a cleaning solution is passed over the ATR crystal to reduce cross-contamination. Automated diffuse reflectance has also been introduced in which a tray of DR sample cups is indexed into the IR sample beam and subsequently scanned. In each of these cases, manual preparation of the sample is necessary (23). In the field of Raman spectroscopy, automation is being developed in conjunction with fiber-optic probes and accompanying... 

Figure 2.12 Schematic of internal reflection spectroscopy The IR beam is transmitted through the denser medium of refractive index, Wj, and internally reflected at the boundary with the medium of lower refractive index, 2. providing it is incident on this boundary at an angle greater than the critical angle, i. The dashed curve represents schematically the intensity of the evanescent wave. Reproduced from Qualitative and Quantitative Analysis of Plastics, Polymers and Rubbers by Vibrational Spectroscopy, J. M. Chalmers and N. J. EveraU, in Vibrational Spectroscopy of Polymers Principles and Practices, eds N. J. Everall, J. M. Chalmers and P. R. Griffiths, John Wiley Sons Ltd., Chichester (2007).

In situ Fourier transform infrared and in situ infrared reflection spectroscopies have been used to study the electrical double layer structure and adsorption of various species at low-index single-crystal faces of Au, Pt, and other electrodes.206"210 It has been shown that if the ions in the solution have vibrational bands, it is possible to relate their excess density to the experimentally observed surface. 

ZSM-5 and ZSM-11 samples were prepared as previously described (11) using tetrapropy 1 ammonium hydroxide and tetrabutyl ammonium bromide, respectively. The nature and crystallinity of the materials were verified by X ray diffraction, ir spectroscopy of lattice vibrational bands ( 1 2 ), n-hexane adsorption capacity at room temperature and constraint index (13) measurements. All samples correspond to highly crystalline ZSM-5 or ZSM-11 materials. The chemical compositions of the samples as determined from chemical analysis of A1 and Na contents, are given in table 1. 

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