Raman spectroscopy qualitative analysis

The use of vibrational Raman spectroscopy in qualitative analysis has increased greatly since the introduction of lasers, which have replaced mercury arcs as monochromatic sources. Although a laser Raman spectrometer is more expensive than a typical infrared spectrometer used for qualitative analysis, it does have the advantage that low- and high-wavenumber vibrations can be observed with equal ease whereas in the infrared a different, far-infrared, spectrometer may be required for observations below about 400 cm. ... 

An important tool for the fast characterization of intermediates and products in solution-phase synthesis are vibrational spectroscopic techniques such as Fourier transform infrared (FTIR) or Raman spectroscopy. These concepts have also been successfully applied to solid-phase organic chemistry. A single bead often suffices to acquire vibrational spectra that allow for qualitative and quantitative analysis of reaction products,3 reaction kinetics,4 or for decoding combinatorial libraries.5... 

Finally, Raman spectroscopy has a potential of being used for qualitative and quantitative analysis. We have used Raman spectroscopy to verify the presence of components in a two-phase system [29]. 

Raman spectroscopy is a related vibrational spectroscopic method. It has a different mechanism and therefore can provide complementary information to infrared absorption for the peptide protein conformational structure determination and some multicomponent qualitative and/or quantitative analysis (Alix et al. 1985). 

IR spectroscopy is a fast, simple, and cheap method for the qualitative detection of certain functional groups on insoluble supports [77-79]. Dried supports can be used directly to prepare KBr pellets for standard recording of IR spectra [54,80-82], Newer IR-based techniques, which require much less support material than required for a KBr pellet, include single-bead FT-IR spectroscopy [16,77,83-86], single-bead Raman spectroscopy [87], near-IR multispectral imaging [88], and the simultaneous analysis of several different beads by FT-IR microscopy for analysis of combinatorial libraries [89,90],... 

Fourier-Transform Infrared (FTIR) spectroscopy as well as Raman spectroscopy are well established as methods for structural analysis of compounds in solution or when adsorbed to surfaces or in any other state. Analysis of the spectra provides information of qualitative as well as of quantitative nature. Very recent developments, FTIR imaging spectroscopy as well as Raman mapping spectroscopy, provide important information leading to the development of novel materials. If applied under optical near-field conditions, these new technologies combine lateral resolution down to the size of nanoparticles with the high chemical selectivity of a FTIR or Raman spectrum. These techniques now help us obtain information on molecular order and molecular orientation and conformation [1],... 

The IR spectra of all four crystal modifications were reported by Cady and Smith (1962) and by Holston (1962). The latter did point out some distinguishing features among the polymorphs, but Cady and Smith noted that problems with sample preparation and conversions among forms indicated that the optical properties described by McCrone (1950a) were the basis for the best rapid qualitative and even rough quantitative analysis. Raman spectroscopy, which requires less potentially destructive sample preparation, has been used to distinguish the polymorphs (Goetz and Brill 1979). The low resolution NMR spectra of the four crystal modifications were reported by Landers et al. (1985). The nuclear quadrupole resonance spectrum... 

Tudor, A. M., Church, S. J., Hendra, P. J., Davies, M. C. and Melia, C. D. (1993). The qualitative and quantitative analysis of chlorpropanide polymorphic mixtures by near-infrared Fourier transform Raman spectroscopy. Pharm. Res., 10, 1772-6. [130, 132]... 

In the study of the structure, i.e. the ionic composition of the investigated molten electrolyte, the physico-chemical analysis, based on the results of measurements of phase equilibrium, density, surface tension, viscosity, and electric conductivity of melts, combined with X-ray phase analysis and IR, respectively, Raman spectroscopy of quenched melts, is used. In the last two measurements, it may be assumed that the high temperature composition is at least qualitatively conserved after quenching. In the investigation of the structure of the electrolytes, the so-called chemical approach is used. 

Raman spectroscopy is by no means a new technique, although it is not as widely known or used by chemists as the related technique of infrared spectroscopy. However, following developments in the instrumentation over the last 20 years or so Raman spectroscopy appears to be having something of a rebirth. Raman, like infrared, may be employed for qualitative analysis, molecular structure determination, functional group identification, comparison of various physical properties such as crystallinity, studies of molecular interaction and determination of thermodynamic properties. 

Qualitatively, solid sulfur allotropes can best be characterized by Raman spectroscopy which is an extremely sensitive method. Depending on the number of atoms in the molecule and of the molecular symmetry quite different spectra are obtained [151]. A quantitative analysis of even complex mixtures of sulfur rings can be achieved by reversed-phase HPLC analysis after dissolution in carbon disulfide and using a UV absorbance detector... 

Common methods used to characterize drugs and excipients are infrared (IR) and Raman spectroscopy. These techniques are sensitive to the structure, conformation, and environment of organic compounds. Because of this sensitivity, they are useful characterization tools for pharmaceutical crystal forms. Qualitative as well as quantitative analysis can be performed with both techniques. 

Qualitative information on the structure of the colored corrinoids in solution can be extracted rapidly from UVA7is and CD spectra most of the spectroscopic features can be rationalized nowadays by comparison with theoretically calculated spectra. For more precise constitutional information, some of the newly developed methods of mass spectrometry allow the analysis even of the involatile Bi2-derivatives. Modern one-and two-dimensional proton, carbon, nitrogen, and phosphorus NMR spectroscopy has proven a powerful instrument for the delineation of the structure of diamagnetic cobalt-corrins in solution. ESR-spectroscopy has given important information on paramagnetic corrinoid Co -complexes, whether in frozen solutions or bound in corrinoid enzymes. X-ray adsorption fine spectroscopy (EXAFS) spectroscopy and vibrational (IR and Raman) spectroscopy are other spectroscopic techniques used more frequently now in the B12 field. ... 

Quantitative and qualitative analyses of inorganic and organic compounds can be performed by Raman spectroscopy. Raman spectroscopy is used for bulk material characterization, online process analysis, remote sensing, microscopic analysis, and chemical... 

Qualitative analysis by Raman spectroscopy is very complementary to IR spectroscopy and in some cases has an advantage over IR spectroscopy. The Raman spectrum is more sensitive to the organic framework or backbone of a molecule than to the functional groups, in contrast to the IR spectrum. IR correlation tables are useful for Raman spectra, because the Raman shift in wavenumbers is equal to the IR absorption in wave-numbers for the same vibration. Raman spectral libraries are available from commercial and government sources, as noted in the bibliography. These are not as extensive as those available for IR, but are growing rapidly. 

A ruby laser pulsed irradiation of Ge/Si heterostructures with Ge nanoclusters (quantum dots) at the irradiation energy density near the melting threshold of Si surface has been studied by means of Raman spectroscopy and by numerical simulation of the laser-induced processes. Two types of the structures have been tested. They differ mainly in the depth of nanoclusters occurence (0.15 and 0.3 pm). From the RS analysis one may conclude that laser irradiation results in different changes of QD properties. The decrease of QD size dispersion is observed in the samples with QDs at 0.3 pm, this effect is not observed in the samples with QDs at 0.15 pm. The numerical simulation of laser heating shows that the QDs are in a molten state for the same time, but the induced temperatures of nanoclusters for the two depths differ by -100 K. This result indicates that qualitatively different effects of the laser irradiation may be connected with different temperatures of QDs during laser irradiation. 

EC microcapsules containing oil were poured into cyclohexane and ultrasonicated for 1 min to extract the oils. The suspension was then filtered through a 0.25 pm filter to separate EC microcapsules. The limonene content was determined by FT Raman Spectroscopy. Each determination was carried in triplicate. FT-IR analysis gave qualitative information regarding Rosemary oil content in EC microcapsules. Thus, the 1730 cm band was monitored. 

A simple property of any spectrum can provide a more quantitative picture to the problem of fluorescence in Raman spectroscopy. The signal-to-noise ratio (S/N) describes the quality of the spectrum. A high S/N is desirable for viewing a spectrum for both qualitative analysis and for concentration determination with quantitative analysis. Obviously, the S/N can be increased two ways an increase in signal or a decrease in noise. For example, if the Raman spectrum of cyclohexane is taken from a sample and has been Altered to remove any particulates, the S/N ratio... 

Hyphenated TLC techniques. TLC has been coupled with other instrumental techniques to aid in the detection, qualitative identification and, occasionally, quantitation of separated samples, and these include the coupling of TLC with high-pressure liquid chromatography (HPLC/TLC), with Fourier transform infra-red (TLC/FTIR), with mass spectrometry (TLC/ MS), with nuclear magnetic resonance (TLC/NMR) and with Raman spectroscopy (TLC/RS). These techniques have been extensively reviewed by Busch (1996) and by Somsen, Morden and Wilson (1995). The chemistry of oils and fats and their TLC separation has been so well established that they seldom necessitate the use of these coupling techniques for their identification, although these techniques have been used for phospholipid detection. Kushi and Handa (1985) have used TLC in combination with secondary ion mass spectrometry for the analysis of lipids. Fast atom bombardment (FAB) has been used to detect the molecular species of phosphatidylcholine on silica based on the molecular ion obtained by mass spectrometry (Busch et al, 1990). 

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