Recognition of the True and False Resonance Raman Optical Activity

Resonance Raman optical activity (RROA) possesses all aspects of a sensitive tool for molecular detection, but its measurement remains challenging. We demonstrate that reliable recording RROA chiral colorful compounds is possible, only after considering the effect electronic circular dichroism (ECD) on ROA spectra induced by dissolved compound. show number model vitamin B12 derivatives are chemically similar exhibit distinctively different spectroscopic behavior. The ECD/ROA proportional to concentration and dependent pathlength light propagating through sample. It can severely alter relative band intensities signs in natural spectra. analyses supported computational modeling based density functional theory. Neglecting ECD during lead misinterpretation recorded erroneous conclusions about structure.