Disulfuryl dichloride ClSO2OSO2Cl: a conformation and polymorphism chameleon

Abstract

Disulfuryl dichloride ClSO 2 OSO 2 Cl was characterized byvibrational spectroscopy in the gaseous and liquid phase as well asin the Ar-matrix. By varying the temperature, certain bands could beassigned to several conformers. Gas-phase electron diffractionrevealed a dominance of the anti-conformer at ambient temperature.The same conformation was found in the solid state. Via the in situtechnique for crystallization, not less than four different modificationswere identified. Among these different modifications, the structuralparameters of the molecules remain relatively constant, but theaggregation pattern changes. Although the molecules aggregate bychlorine···oxygen contacts in each modification, the geometricalparameters of these interaction show significant differences andwere evaluated and are in part inconsistent with the halogen bondingconcept.