Silicon-carbon agostic interaction with titanium: origin of alkenyl group distortion in Ti[C(SiH2CH3):CH2]X2+. An ab initio MO study

π-Bond vs. Agostic Interaction in Three-

π-Bond vs. Agostic Interaction in Three-Coordinated Alkoxy and Thiolate Derivatives of Aluminium, Boron and Cationic Carbon – An ab initio Study of H2X–YR Systems (X = Al, B, C+; Y = O, S; R = H, CH3)

✍ Isabelle Demachy; François Volatron 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 361 KB 👁 1 views

Rotational barriers and π conjugation effects have been SCH 3 species. An acute B-S-C angle (69.6°) is found, thus evidencing a direct H•••B agostic interaction with a four-studied in H 2 X-YR systems (X = Al, B; Y = O, S; R = H, CH 3 ) by means of ab initio calculations at the MP4/6-311G\*\*// memb