Naslov
Trimethylsilylacetylene derivatives in the solid cryogenic SbF_5 matrices

Autori
Čičak, Helena ; Mihalić, Zlatko ; Vančik, Hrvoj ; Zrinski, Irena

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
8th European Symposium on Organic Reactivity (ESOR-8) : Programme and Abstracts / Eckert-Maksić, Mirjana ; Glasovac, Zoran ; Zrinski, Irena - Cavtat : Institut Ruđer Bošković, 2001, 137-137

Skup
8th European Symposium on Organic Reactivity (ESOR-8)

Mjesto i datum
Dubrovnik, Hrvatska; Cavtat, Hrvatska, 01.09.2001. - 06.09.2001

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
trimethylsilylacetylene derivatives ; SbF_5 matrices

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA