Conformational study of (R)-(+)-limonene in the liquid phase using vibrational spectroscopy (IR, Raman, and VCD) and DFT calculations

A conformational study in the liquid phase of the terpene (R)-(+)-limonene has been carried out, revealing the presence of three conformers. For this task, experimental vibrational techniques, such as IR, Raman, and VCD spectroscopies, together with quantum chemical calculations, have been used. Our study reveals that a previous vibrational analysis is desirable to achieve a thorough analysis of the VCD spectrum as well as that these three experimental techniques are complementary to characterize flexible systems, which present several conformers.

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