SO2 and SO3 reactions with [(C5Me5)2Sm-O-Sm(C5Me5)2]: a DFT investigation and comparison with CO2 reactivity
Elisa Louyriac1, Peter W Roesky2, Laurent Maron1
1LPCNO, Université de Toulouse, CNRS, INSA, UPS, 135 avenue de Rangueil, 31077 Toulouse, France. laurent.maron@irsamc.ups-tlse.fr.
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.
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