engleski

Trimethylsilylacetylene derivatives in the solid cryogenic SbF_5 matrices

Trimethylsilylacetylene derivatives A (R= H, Me, Me_3Si) have been studied by IR spectroscopy in low-temperature SbF_5 matrices and quantum-mechanical calculations. The possible mechanism is shown on Scheme 1. Intermediate I1 is not stable enough and forms more stable bridged structure I2.2 After fluorodesilylation, acetylene B undergoes reprotonation and could yield vinyl, or allyl cation. The discussion is based on high-level ab initio calculations (MP2/6-31G(d) and B3LYP/6-311+G(d)) of ni(C_aC_b) stretching frequencies and the relevant geometrical parameters of expected intermediates and products.

trimethylsilylacetylene derivatives ; SbF_5 matrices

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