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

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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

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Publication details

The article was received on 03 May 2019, accepted on 03 Jun 2019 and first published on 03 Jun 2019


Article type: Communication
DOI: 10.1039/C9CP02508A
Phys. Chem. Chem. Phys., 2019, Advance Article

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    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, Advance Article , DOI: 10.1039/C9CP02508A

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