Issue 36, 2019

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

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.

Graphical abstract: How flexible is the disulfide linker? A combined rotational–computational investigation of diallyl disulfide

Supplementary files

Article information

Article type
Communication
Submitted
03 Cax 2019
Accepted
03 Qas 2019
First published
03 Qas 2019

Phys. Chem. Chem. Phys., 2019,21, 19732-19736

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

J. Demaison, N. Vogt, R. T. Saragi, M. Juanes, H. D. Rudolph and A. Lesarri, Phys. Chem. Chem. Phys., 2019, 21, 19732 DOI: 10.1039/C9CP02508A

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