How flexible is the disulfide linker? A combined rotational-computational investigation of diallyl disulfide

Phys Chem Chem Phys. 2019 Sep 18;21(36):19732-19736. doi: 10.1039/c9cp02508a.

Abstract

The symmetrically substituted diallyl disulfide adopts a non-symmetric conformation in the gas-phase, as observed with supersonic-jet rotational spectroscopy. The determination of the equilibrium structure with a predicate mixed regression illustrates both the benefits of the mass-dependent method for moderately large molecules and the structural peculiarities of the disulfide bridge.