Synthesis and Structure of Protonated Sulfur Dioxide.

Area of Science:

• Inorganic Chemistry
• Solid-State Chemistry

Background:

• Protonation of sulfur dioxide (SO2) is a key reaction in understanding its chemical behavior.
• Synthesis of stable salts of protonated sulfur dioxide requires specific conditions and counterions.

Purpose of the Study:

• To synthesize and characterize novel salts of protonated sulfur dioxide.
• To investigate the structural and spectroscopic properties of these new compounds.

Main Methods:

• Recrystallization of [FS(OX)2][SbF6] (X=H, D) in aprotic solvents at low temperatures.
• Synthesis of hemiprotonated sulfur dioxide [(SO2)2H][Sb2F11] and monoprotonated sulfur dioxide [OSOD][Sb2F11] using SO2 and 1,1,1,2-tetrafluoroethane.
• Single crystal X-ray diffraction analysis.
• Raman spectroscopy.
• Quantum chemical calculations (M06-2X/aug-cc-pVTZ).

Main Results:

• Successful synthesis of salts of protonated sulfur dioxide, including [FS(OX)2][SbF6] (X=H, D).
• Isolation and structural determination of hemiprotonated sulfur dioxide [(SO2)2H][Sb2F11] and monoprotonated sulfur dioxide [OSOD][Sb2F11].
• Characterization by Raman spectroscopy and comparison with theoretical calculations.

Conclusions:

• The study successfully synthesized and characterized novel salts of protonated sulfur dioxide.
• X-ray diffraction and Raman spectroscopy provided detailed structural and vibrational information.
• Quantum chemical calculations supported the experimental findings, offering insights into bonding and stability.