Disulfuryl Dichloride ClSO 2 OSO 2 Cl: A Conformation and Polymorphism Chameleon

Angélica Moreno Betancourt, Jan Schwabedissen, Rosana M Romano, Carlos O Della Védova, Helmut Beckers, Helge Willner, Hans-Georg Stammler, Norbert W Mitzel
Chemistry: a European Journal 2018 July 20, 24 (41): 10409-10421
Disulfuryl dichloride ClSO2 OSO2 Cl 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.


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