The Chemistry of [1,1′‐bis(o‐Carboranyl)]Borane η2‐σ‐Silane Adduct

Abstract

AbstractWe report here a new route for the preparation of [1,1′‐bis(o‐carboranyl)]borane, a 3D analogue of 9‐borafluorene, η2‐σ‐silane adduct (1‐H‐SiEt3) in high yields (>80 %). The nature of B−H−Si bonding was studied by density functional theory (DFT) computations. Preliminary reactivity study of 1‐H‐SiEt3 with small molecules was carried out. Interestingly, 1‐H‐SiEt3 reacts with benzophenone in hexane producing the deoxygenation product Ph2CH2. While in benzene, 1‐H‐SiEt3 reacts with benzophenone leading to mixture of Ph2CH2 and Ph3CH (3 : 1). Ph3CH is formed via addition of benzene to the carbonyl followed by deoxygenation. In contrast, the reaction of benzophenone with Et3SiH in presence of a catalytic amount of 1‐H‐SiEt3 leads to hydrosilylation product Ph2(H)C−OSiEt3.