Experimental and Theoretical Studies on the Reduction of CO₂ to CO with Chloro(methyl)disilane Components from the Direct Process

Published as part of the Cluster Silicon in Synthesis and Catalysis

Abstract

Three disilanes, (CH₃)₃SiSi(CH₃)₃, Cl(CH₃)₂SiSi(CH₃)₂Cl, and Cl₂(CH₃)SiSi(CH₃)Cl₂, all representing components of the Direct Process residue for the industrial synthesis of chloromethylsilanes, were evaluated for their abilities to reduce carbon dioxide to carbon monoxide upon treatment with fluoride salts. In particular, Cl(CH₃)₂SiSi(CH₃)₂Cl proved to be highly efficient upon the use of stoichiometric amounts of potassium bifluoride. DFT calculations performed on the reduction steps with (CH₃)₃SiSi(CH₃)₃ and fluorinated analogues of this disilane suggest that the previously proposed pathway involving an intermediate silacarboxylic acid is plausible.

Key words

carbon dioxide - disilanes - reduction - carbon monoxide - ­Direct Process - palladium

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