C
C stretching VCD signal
VCD spectroscopy was applied to allenic natural products to elucidate their axial chirality. The sign and intensity of C
C
C antistretching VCD signal were found to be affected by substituents on the allene.
Y, and X
Y
Z stretching region
VCD spectroscopy in the 1900–2400 cm−1 region has less often been studied. This article briefly summarises VCD studies in this spectral region and discusses the properties of 1900–2400 cm−1 chromophores.
A combination of visual inspection and machine learning is used to identify IR/VCD spectral markers to determine composition and absolute configuration of terpenes in complex mixtures.
VCD spectroscopy associated with DFT calculations is a powerful tool to unambiguously assign both the absolute configurations and conformations of chiral secondary metabolites directly in solution.
Strong solute–solvent interactions can affect VCD spectral signatures in various ways. In this perspective, we discuss the micro-solvation approach to simulate the solvent effects.