Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon

Disulfuryl dichloride ClSO2OSO2Cl was characterized by vibrational spectroscopy in the gaseous and liquid phase as well as in the Ar‐matrix. By varying the temperature, certain bands could be assigned to several conformers. Gas‐phase electron diffraction revealed a dominance of the anti‐conformer at...

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Bibliographic Details
Published in:Chemistry : a European journal 2018-07, Vol.24 (41), p.10409-10421
Main Authors: Moreno Betancourt, Angélica, Schwabedissen, Jan, Romano, Rosana M., Della Védova, Carlos O., Beckers, Helmut, Willner, Helge, Stammler, Hans‐Georg, Mitzel, Norbert W.
Format: Article
Language:English
Subjects:
Ambient temperature
Chemistry
Chlorine
Conformation
Crystallization
Dichlorides
disulfuryl dichloride
Electron diffraction
gas-phase electron diffraction
in situ crystallization
Interaction parameters
matrix-isolation vibrational spectroscopy
Molecular chains
Parameter identification
Parameter modification
Polymorphism
solid-state modifications
Spectroscopy
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Summary:Disulfuryl dichloride ClSO2OSO2Cl was characterized by vibrational spectroscopy in the gaseous and liquid phase as well as in the Ar‐matrix. By varying the temperature, certain bands could be assigned to several conformers. Gas‐phase electron diffraction revealed a dominance of the anti‐conformer at ambient temperature. The same conformation was found in the solid state. Via the in situ technique for crystallization, not less than four different modifications were identified. Among these different modifications, the structural parameters of the molecules remain relatively constant, but the aggregation pattern changes. Although the molecules aggregate by chlorine⋅⋅⋅oxygen contacts in each modification, the geometrical parameters of these interaction show significant differences and were evaluated and are in part inconsistent with the halogen bonding concept. Good vibrations: Disulfuryl dichloride exhibits an unforeseen variety of solid‐state modifications. For the gas‐phase, spectroscopy provides evidence for a multi‐conformer, while electron diffraction revealed only one conformer. The range of values established for a range of molecular structure parameters demonstrates nicely their variability between different modifications.
ISSN:0947-6539
1521-3765
DOI:10.1002/chem.201800817