Steps Ahead in Understanding the Catalytic Isomerization Mechanism of Linear Allylic Alcohols in Water: Dynamics, Bonding Analysis, and Crystal Structure of an η2-Allyl-Intermediate

The isomerization of 1-penten-3-ol into 3-pentanone catalyzed by [RuCp(H2O-κO)(PTA)2](CF3SO3) (1CF3SO3) (PTA = 1,3,5-triaza-7-phosphaadamantane) was studied and two water-soluble ruthenium catalyst...