Raman structures

Hu S, Kincaid JR (1991) Resonance Raman structural characterization and the mechanism of formation of lactoperoxidase compound III. J Am Chem Soc 113 7189-7194... 

K. Nakamura. Science Repts. Tohoku Univ., First Set. 35, 1-10 (1951). Raman structure of liquid water, band shapes, pure, alcohol solutions, 10-45 G. 

Raman Structural information for highly disperse phases, characterization of adsorbates Qualitative, signal superposition for complex materials, problems with sample fluorescence (yes)... 

This spectrum is called a Raman spectrum and corresponds to the vibrational or rotational changes in the molecule. The selection rules for Raman activity are different from those for i.r. activity and the two types of spectroscopy are complementary in the study of molecular structure. Modern Raman spectrometers use lasers for excitation. In the resonance Raman effect excitation at a frequency corresponding to electronic absorption causes great enhancement of the Raman spectrum. 

Herzberg G 1945 Molecular Spectra and Molecular Structure II Infrared and Raman Spectra of Polyatomic Molecules (New York Van Nostrand-Reinhold)... 

Myers A B and Mathies R A 1987 Resonance Raman intensities A probe of excited-state structure and dynamics Biological Applications of Raman Spectroscopy yo 2, ed T G Spiro (New York Wiley-Interscience) pp 1-58... 

Vibrational spectroscopy provides detailed infonnation on both structure and dynamics of molecular species. Infrared (IR) and Raman spectroscopy are the most connnonly used methods, and will be covered in detail in this chapter. There exist other methods to obtain vibrational spectra, but those are somewhat more specialized and used less often. They are discussed in other chapters, and include inelastic neutron scattering (INS), helium atom scattering, electron energy loss spectroscopy (EELS), photoelectron spectroscopy, among others. 

Chi Z H, Chen X G, Holtz J S W and Asher S A 1998 UV resonance Raman-selective amide vibrational enhancement quantitative methodology for determining protein secondary structure Biochemistry 27 2854-64... 

Kincaid J R 1995 Structure and dynamics of transient species using time-resolved resonance Raman-spectroscopy Biochemical Spectroscopy Methods Enzymol. vol 246, ed K Sauer (San Diego, CA Academic) pp 460-501... 

Scott T W and Friedman J M 1984 Tertiary-structure relaxation in haemoglobin—a transient Raman-study J. Am. Chem. Soc. 106 5677-87... 

In order to develop the theoretical structure that underlies each of the many Raman spectroscopies at third... 

Asher S A, Chi Z, Holtz J S W, Lednev I K, Karnoup A S and Sparrow M C 1998 UV resonance Raman studies of protein structure and dynamics XWf/r int. Conf on Raman Spectroscopy ed A M Heyns (New York Wley) pp 11-14... 

Barron L D, Hecht L, Bell A F and WIson G 1996 Raman optical activity an incisive probe of chirality and biomolecular structure and dynamics ICORS 96 XVth Int. Conf. on Raman Spectroscopy ed S A Asher and P B Stein (New York Wley) pp 1212-15... 

Walrafen G E 1967 Raman spectral studies of the effects of temperature on water structure J. Chem. Phys. 47 114-26... 

Figure Bl.22.6. Raman spectra in the C-H stretching region from 2-butanol (left frame) and 2-butanethiol (right), each either as bulk liquid (top traces) or adsorbed on a rough silver electrode surface (bottom). An analysis of the relative intensities of the different vibrational modes led to tire proposed adsorption structures depicted in the corresponding panels [53], This example illustrates the usefiilness of Raman spectroscopy for the detennination of adsorption geometries, but also points to its main limitation, namely the need to use rough silver surfaces to achieve adequate signal-to-noise levels.

Friedman J M 1994 Time-resolved resonance Raman spectroscopy as probe of structure, dynamics, and reactivity in hemoglobin Methods Enzymol. 232 205-31... 

With all-atom simulations the locations of the hydrogen atoms are known and so the order parameters can be calculated directly. Another structural property of interest is the ratio of trans conformations to gauche conformations for the CH2—CH2 bonds in the hydrocarbon tail. The trans gauche ratio can be estimated using a variety of experimental techniques such as Raman, infrared and NMR spectroscopy. 

The vibrational states of a molecule are observed experimentally via infrared and Raman spectroscopy. These techniques can help to determine molecular structure and environment. In order to gain such useful information, it is necessary to determine what vibrational motion corresponds to each peak in the spectrum. This assignment can be quite difficult due to the large number of closely spaced peaks possible even in fairly simple molecules. In order to aid in this assignment, many workers use computer simulations to calculate the vibrational frequencies of molecules. This chapter presents a brief description of the various computational techniques available. 

Solid covalent dinitrogen pentoxide can be prepared by freezing the vapour with liquid helium. Normally, solid dinitrogen pentoxide exists as (NO2+) (NOj ), showing absorption bands in its Raman spectrum only at 1050 and 1400 cm the structure of this form has been determined by X-ray crystallography. ... 

The planar structure of thiazole (159) implies for the molecule a Cj-type symmetry (Fig. 1-8) and means that all the 18 fundamental vibrations are active in infrared and in Raman spectroscopy. Table 1-22 lists the predictions made on the basis of this symmetry for thiazole. 

Figure 6.9 The 1-0 Stokes vibrational Raman spectrum of CO showing the 0-, Q-, and 5-branch rotational structure...

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