Solvent–temperature coupled hydride transfer controls product selectivity in the HSiR 3 /KO t Bu catalytic system
Abstract
-methylindole, and this reaction site selectivity is affected by the stability of the cluster controlled by solvent and temperature coupling, which gives rise to nonlinear activation entropy of the C3 pathway in the neat silane environment. Unlike tetrahydrofuran solutions, the weak polarity of neat silanes makes it difficult to support deprotonation reactions at the less acidic C3 position at high temperature, thus affecting temperature-dependent selectivity. These results provide a microscopic predictive framework for tuning the selectivity in base-promoted hydrosilane chemistry and illustrate how explicit operational solvation and cluster formation can reshape mechanistic conclusions drawn from static models.
Fields of Study & Subjects
Catalytic C–H Functionalization Methods
Organoboron and organosilicon chemistry
Catalytic Cross-Coupling Reactions
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 20
- Pages
- 10092–10103
- Publication date
- 1 January 2026
- Language
- EN