SO2 and SO3 reactions with [(C5Me5)2Sm-O-Sm(C5Me5)2]: a DFT investigation and comparison with CO2 reactivity†
Abstract
Recently, it was shown that samarocene oxide [Cp*2Sm-O-SmCp*2] with Cp* = C5Me5 could react with organic and inorganic anhydrides. The reactions of [Cp*2Sm-O-SmCp*2] with SO2 and SO3 are reported using DFT calculations and compared with the reactivity of CO2. These reactions exhibit similar features yielding [Cp*2-Sm-(μ–η1:η2-OSO2)-SmCp*2] similar to [Cp*2-Sm-(μ–η1:η2-OCO2)-SmCp*2] and [Cp*2-Sm-(μ–η2:η2-O2SO2)-SmCp*2] complexes.