Hexakis(tert-butyldimethylsilyl)bicyclo[1.1.0]tetrasilane (3), which is known to isomerize to the corresponding cyclotetrasilene 4 above 0°C, was synthesized via an alternative synthetic route and isolated at low temperatures as air-sensitive yellow crystals. The short-bond structure of 3 was disclosed by X-ray analysis and DFT calculations, and facile ring flipping of 3 below O °C with the activation parameters of ΔH‡ = 6.67 ± 0.18 kcal mol-1 and ΔS‡ = -22.7 ± 0.8 cal mol-1 K-1 was observed.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry