Article of prof. Dorota Gryko and prof. Małgorzata Barańska in Angewandte Chemie International Edition

5 July 2021

Prof. Dorota Gryko and prof. Małgorzata Barańska published an article entitled: „Recognition of the true and false resonance Raman optical activity”.

Studies have shown that reliable RROA registration of chiral colored compounds is possible, but only after taking into account the influence of electronic circular dichroism (ECD) on ROA spectra induced by the dissolved chiral compound. Shown RROA for a series of model vitamin B12 derivatives that are chemically similar but show distinctly different spectroscopic behavior. The ECD / ROA effect is proportional to the concentration and depends on the optical path length of the light passing through the sample. It can severely alter the relative intensities and signs in the natural RROA spectra. Spectrum analyzes are supported by computational modeling based on the theory of the density functional. The omission of the ECD effect during the ROA measurement may lead to misinterpretation of the recorded spectra and erroneous conclusions regarding the molecular structure.