Izvestiya of Saratov University.
ISSN 1817-3020 (Print)
ISSN 2542-193X (Online)

ИК спектр

IR Spectrum of the Methyl-β-D-Glucopyranoside and its Interpretation on Basis Structural-Dynamic Model Construction

Structural-dynamic models of the methyl-β-D-glucopyranoside molecule are constructed by density functional method in bases 6-31 G(d), 6-31+G (d, p). Energies, structures, dipole moments, polarizabilities, frequencies of normal modes in harmonic approximation and IR intensities have been calculated. Interpretation of IR absorption spectrum is presented in range 400-3700 cm^(-1). Advantages of model, which was constructed, compared with model, which bases on using valence-force field method and valency-optical theory, are discussed.

The Influence of Hydrogen Bond on the Structure and IR Spectrum of Triphenyl Phosphite

Background and Objectives: The IR spectra of triphenyl phosphite (TPP) have been measured at temperatures of 12 and 320 K in five phase states: crystalline (monoclinic and hexagonal phases), “glacial”, amorphous and liquid. It is necessary to clarify the effect of hydrogen bonding on the structure and IR spectrum of TPP. Materials and Methods: The IR spectra were measured on the IFS-88 spectrophotometer using the OPUS software. The spectral resolution was 2 cm^(-1).