A computational investigation of the thermal elimination chemistry of β-borylated sulfoxides. Sulfenic acid vs . boryl sulfenate elimination

Key Points

• Investigate thermal elimination reactions of β-borylated sulfoxides using computational methods.
• Computational analysis of elimination mechanisms and energy barriers for β-borylated sulfoxides
• Comparison of sulfenic acid and boryl sulfenate elimination pathways
• Boryl substituents lower the barriers for the classical Ei reaction of sulfoxides
• Preferred elimination involves boryl sulfenate, except in the case of Bmida