The genesis of OH-stretching vibrational circular dichroism in chiral molecular crystals.

ABSTRACT: The stretching vibration of hydroxyl groups, ν(OH), appears with a strong absorption in the 3 μm region of the infrared (IR) spectrum. In chiral molecular crystals, also vibrational circular dichroism (VCD) can be observed for this band, which is demonstrated by the example of two chiral alcohols crystallising with space groups P2₁ and P3₁21, respectively. Measurements demonstrate that the VCD bands of the ν(OH) mode show an increased fine structure in comparison to the broad infrared absorption bands. In a computational study, the chiroptical signal can entirely be traced back to non-local terms emerging from the supramolecular environment, determined by the hydrogen-bonded network involving the hydroxyl groups. In turn, the VCD of individ

SUBMITTER: Jahnigen S 

PROVIDER: S-EPMC12044347 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature