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Disulfuryl Dichloride ClSO2 OSO2 Cl: A Conformation and Polymorphism Chameleon
Angélica Moreno Betancourt1, Jan Schwabedissen2, Rosana M Romano1
1CEQUINOR (UNLP-CONICET, CCT La Plata), Departamento de Química, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, La Plata, CP 1900, Argentina.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|May 1, 2018
Summary
Disulfuryl dichloride (DSCl2) was studied using spectroscopy and electron diffraction. The anti-conformer is dominant in gas, liquid, and solid states, with four solid modifications identified, showing varied aggregation patterns.
Area of Science:
- Inorganic Chemistry
- Solid-State Chemistry
- Spectroscopy
Background:
- Disulfuryl dichloride (ClSO2OSO2Cl) is a chemical compound with limited structural characterization.
- Understanding its conformational preferences and solid-state behavior is crucial for its chemical applications.
Purpose of the Study:
- To comprehensively characterize disulfuryl dichloride using vibrational spectroscopy and gas-phase electron diffraction.
- To investigate the conformational landscape and solid-state polymorphism of disulfuryl dichloride.
Main Methods:
- Vibrational spectroscopy (gas, liquid, Ar-matrix) to identify conformers.
- Temperature-dependent band analysis to assign spectral features to specific conformers.
- Gas-phase electron diffraction to determine molecular structure and conformation.
- In situ crystallization techniques to identify solid-state modifications.
Main Results:
- The anti-conformer of disulfuryl dichloride is dominant in the gaseous, liquid, and solid phases at ambient temperature.
- Four distinct crystalline modifications of disulfuryl dichloride were identified using in situ crystallization.
- While molecular parameters remain consistent, aggregation patterns differ among modifications, primarily through chlorine-oxygen contacts.
- The geometry of chlorine-oxygen interactions shows significant variation and is partly inconsistent with the halogen bonding concept.
Conclusions:
- Disulfuryl dichloride predominantly adopts the anti-conformer across different phases.
- The compound exhibits polymorphism, with distinct solid-state modifications arising from varied aggregation patterns.
- The observed chlorine-oxygen interactions challenge a straightforward application of the halogen bonding model.
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