Palivec, Vladimir; Michal, Pavel; Kapitan, Josef; Martinez-Seara, Hector; Bour, Petr published the artcile< Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range>, Synthetic Route of 492-62-6, the main research area is Raman optical activity glucose sorbose extended wavenumber range; CH stretching; Raman optical activity; density functional theory; saccharide structure; spectral modeling.
Raman optical activity (ROA) is pursued as a promising method for structural analyses of sugars in aqueous solutions In the present study, exptl. Raman and ROA spectra of glucose and sorbose obtained in an extended range (50-4000 cm-1) are interpreted using mol. dynamics and d. functional theory, with the emphasis on CH stretching modes. A reasonable theor. basis for spectral interpretation was obtained already at the harmonic level. Anharmonic corrections led to minor shifts of band positions (up to 25 cm-1) below 2000 cm-1, while the CH stretching bands shifted more, by ∼180 cm-1, and better reproduced the experiment However, the anharmonicities could be included on a relatively low approximation level only, and they did not always improve the harmonic band shapes. The dependence on the structure and conformation shows that the CH stretching ROA spectral pattern is a sensitive marker useful in saccharide structure studies.
ChemPhysChem published new progress about Anharmonic molecular vibration (Anharmonic corrections). 492-62-6 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H12O6, Synthetic Route of 492-62-6.
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts