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

Department of Chemistry Wroclaw University of Science and Technology Wyb Wyspianskiego 27 50 370 Wroclaw Poland

Department of Optics Palacký University Olomouc 17 listopadu 12 77146 Olomouc Czech Republic

Department of Pharmacognosy and Herbal Medicine Wroclaw Medical University Borowska 211A 50 556 Wroclaw Poland

Faculty of Chemistry Jagiellonian University Gronostajowa 2 30 387 Krakow Poland

Institute of Organic Chemistry and Biochemistry Academy of Sciences Flemingovo náměstí 2 16610 Prague Czech Republic

Institute of Organic Chemistry Polish Academy of Sciences Kasprzaka 44 52 01 224 Warsaw Poland

Jagiellonian Centre for Experimental Therapeutics Jagiellonian University Bobrzynskiego 14 30 348 Krakow Poland

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