Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon

Betancourt AM, Schwabedissen J, Romano RM, et al. Disulfuryl Dichloride ClSO2OSO2Cl: A Conformation and Polymorphism Chameleon. CHEMISTRY-A EUROPEAN JOURNAL. 2018;24(41):10409-10421.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 chlorineoxygen 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