Stereochemical analysis of (+)-limonene using theoretical and experimental NMR and chiroptical data

On the basis of a comprehensive conformational and configurational analysis, the literature of the important mono-terpene limonene is critically assessed. The main chiroptical methods (ORD, ECD, and VCD) are experimentally applied, together with DFT calculations showing success and limits of the assignment of the absolute configuration based on chiroptical spectroscopy.