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Reaction of Trimethylsilylacetylenes with Antimony Pentafluoride under Matrix Isolation Conditions: Experimental and Computational Study

Reaction of trimethylsilylacetylenes Me3SiC≡CR with SbF5 in the solid state was investigated using matrix isolation infrared spectroscopy and quantum-mechanical calculations. Two reaction pathways were detected. Replacement of the trimethylsilyl group with SbF4 produces neutral antimony acetylides F4SbC≡CR. Acetylenic bond protonation produces silyl cation 6-R, fully bridged for R = H and SiMe3. High total charges on the bridging SiMe3 group and low Me3Si−C bond orders to acetylenic moiety, both calculated at the MP4(SDQ)/6-311G(d, p) level of theory, indicate high silyl cation character of these species.

trimethylsilylacetylenes; matrix isolation; antimony acetylides; silyl cations; quantum-mechanical calculations

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