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SO2 and SO3 reactions with [(C5Me5)(2)Sm-O-Sm (C5Me5)(2)]: a DFT investigation and comparison with CO2 reactivity

Abstract : Recently, it was shown that samarocene oxide [Cp*2SmO-SmCp*(2)] with Cp* = C5Me5 could react with organic and inorganic anhydrides. The reactions of [Cp*Sm-2-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-(mu-eta(1):eta(2)-OSO2)-SmCp*2] similar to [Cp*(2)-Sm(mu-eta(1):eta(2)-OCO2)-SmCp*(2)] and [Cp*(2)-Sm-(mu-eta(2):eta(2)-O2SO2)-SmCp*(2)] complexes.
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https://hal.insa-toulouse.fr/hal-01961167
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Submitted on : Wednesday, December 19, 2018 - 5:16:48 PM
Last modification on : Tuesday, March 3, 2020 - 11:40:04 AM

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  • HAL Id : hal-01961167, version 1

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Elisa Louyriac, Peter W. Roesky, Laurent Maron. SO2 and SO3 reactions with [(C5Me5)(2)Sm-O-Sm (C5Me5)(2)]: a DFT investigation and comparison with CO2 reactivity. Dalton Transactions, Royal Society of Chemistry, 2017, 46 (24), pp.7660--7663. ⟨hal-01961167⟩

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