Absolute Configuration Assignment of Highly Fluorinated Carboxylic Acids via VCD & MRR Spectroscopy

Publication Summary

Originally published in Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, this study evaluates the use of vibrational circular dichroism (VCD) and molecular rotational resonance (MRR) spectroscopy for assigning the absolute configuration of two highly fluorinated chiral carboxylic acids. Both techniques determine absolute configuration by comparing experimental measurements with computational predictions, offering complementary approaches for chiral analysis.

The researchers successfully assigned the absolute configurations of both compounds using VCD and MRR spectroscopy while examining the unique challenges associated with each method. The study highlights the importance of conformational analysis and spectral interpretation in VCD, as well as the use of chiral tagging and structural assignments in MRR. The results demonstrate the complementary strengths of the two techniques and underscore the value of MRR spectroscopy as part of the analytical toolbox for stereochemical characterization and pharmaceutical research.