Vibrational spectra and stereochemistry of mono- and polysaccharides. III. β-methyl-d-glucoside, α-methyl-d-glucoside,and β-methyl-d-xyloside

The IR and Raman spectra of β- and α-methyl-D-glucosides and β-methyl-D-xyloside are compared. Experimental data are correlated with theoretical calculations of the frequencies of normal vibrations. Predominant contributions (20% and more) of particular CiOi and CiC(i+1) bonds to the potential energy distribution of normal vibrations (i.e., localization of vibrations on these bonds, which form skeletons of monosaccharide molecules) are estimated. This approach is used to interpret the main distinctions between the IR and Raman spectra of the test compounds. The use of vibrational spectra in selective analysis of certain functional groups is discussed. It is shown that replacing the hydroxyl group at C1 has a specific effect on the predominant localization of vibrational modes in particular skeletal bonds (mainly in C1O1) of the monosaccharide molecules. B. I. Stepanov Institute of Physics, Belarus Academy of Sciences. V. Tshebyatovski Institute of Low Temperatures and Structural Studies, Polish Academy of Sciences. Translated fromZhurmal Strukturnoi Khimii, Vol. 36, No. 3, pp. 443–455. May–June, 1995. Translated by I. Izvekova.     

Spectral-luminescent analysis of sugar cane juice

A spectral-luminescent analysis has been made of the low-, medium-, and high-molecular mass fractions of sugar cane juice. The presence of pigments was detected in all the fractions. The medium-molecular-mass fraction was distinguished by the most considerable and most diverse composition of the pigments, a substantial contribution to which was made by the products of the alkaline decomposition of sugars. The amounts of pigments in all the fractions of the juice depended on the age of the plant. A pronounced dependence on the age of the plant was characteristic for the medium-molecular-mass fraction.B. I. Stepanov Institute of Physics, Belorussian Academy of Sciences, Minsk. Translated from Khimiya Prirodnykh Soedinenii, No. 3, pp. 456–459, May–June, 1993.     

Vibrational spectra and stereoisomerism of the hexopyranose ring in epoxysaccharides

Journal of Structural Chemistry - Investigation of the potential surface of methyl 2,3-anhydro-2,3,4-trideoxy-β-D-lyxohexopyranoside has shown that the molecule has seven conformers with...     

Analysis of the Structure of the Bands in the IR Spectrum of β-D Glucose by the Regularized Method of Deconvolution

Deconvolution of the IR absorption spectrum of -D glucose in the spectral range 1500–450 cm^–1 has been carried out. The results of the deconvolution were compared with the IR and Raman spectra recorded at room and low temperatures and with the data obtained by theoretical calculations for the frequencies of the normal vibrations of the -D glucose molecule in the crystalline state. It is shown that deconvolution of the IR spectra recorded at room temperature makes it possible to separate the bands observed experimentally only at a very low temperature of the sample and a number of components that were not resolved earlier. The number of bands separated on deconvolution of the IR spectra of -D glucose in the spectral range 1500–450 cm^–1 is more than twice the number of visible absorption maxima in the usual spectrum. The results of deconvolution of the IR spectrum of -D glucose are in good agreement with the data of theoretical calculations for the frequencies of the normal vibrations of the -D glucose molecule in the crystalline state. The existence of the factor-group (Davydov) splitting of a number of frequencies of the nondegenerate fundamental vibrations of molecules in a crystal cell has been revealed in the IR spectrum of -D glucose. It was concluded that the model of an isolated molecule is insufficient for detailed theoretical interpretation of the vibrational spectra of carbohydrates.     

NMR conformational analysis of saccharides and polysaccharides

Journal of Applied Spectroscopy -     

Quantitative infrared determination of lignin in cellulose and hemicellulose

A spectroscopic method is suggested for the quantitative determination of lignin in cellulose-containing materials, which is based on taking a differential spectrum of the test material relative to a standard (cotton cellulose). Test samples are prepared in the form of variable thickness films for ease of compensation. Lignin content is determined from the absorption at the maximum of the 1600 cm^–1 band which is assigned to the valence vibrations of C-C bonds in the lignin aromatic ring. The suggested method could be used in industries concerned with the preparation and processing of cellulose and hemicellulose.     

Modeling of IR Spectra of Selectively Substituted Glucopyranoside Nitrates

The frequencies of the normal vibrations of the molecules of 2,6- and 3,6-di-O-nitro-methyl--D-glucopyranosides and 2,3,6-tri-O-nitro-methyl--D-glucopyranoside have been calculated within the valence-force-field approximation in combination with calculation of the absolute intensities of the IR absorption bands of these molecules by the CNDO/2 method. The regularities in the structure of the complex IR absorption bands characteristic for nitro groups formed as a result of selective nitrosubstitution have been explained.