Synthesis and computational studies for halide-free, neutral, and bifunctional one-component ferrocene-based catalysts for the coupling of carbon dioxide and epoxides
Jieun Lee, Wooram Lee, Yoseph Kim, Mujin Choi, Seol Ryu, Joonkyung Jang, Youngjo Kim
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引用次数: 0
Abstract
We used stable and nontoxic [(dimethylamino)methyl]ferrocene (Fc-N), (hydroxymethyl)ferrocene (Fc-O), 1,2-bis[(dimethylamino)methyl]ferrocene (Fc-N2), and 1-[(dimethylamino)methyl]-2-(hydroxymethyl)ferrocene (Fc-NO) as halide-free, neutral, and bifunctional one-component catalysts for the synthesis of cyclic carbonates. They do not need halide-based additives or tethered salts attached to ligands when used for this coupling reaction. Among them, Fc-N2 exhibited the best catalytic activity under the same reaction conditions. Catalytic activity decreased rapidly in the order Fc-N2 > Fc-NO > Fc-N > Fc-O, and interestingly, the more amino groups introduced into the Cp groups, the higher the activity. Various terminal and internal epoxides were easily converted into the corresponding cyclic carbonates. Calculations based on the density functional theory were also carried out to elucidate the mechanism of the coupling reaction.
期刊介绍:
The Bulletin of the Korean Chemical Society is an official research journal of the Korean Chemical Society. It was founded in 1980 and reaches out to the chemical community worldwide. It is strictly peer-reviewed and welcomes Accounts, Communications, Articles, and Notes written in English. The scope of the journal covers all major areas of chemistry: analytical chemistry, electrochemistry, industrial chemistry, inorganic chemistry, life-science chemistry, macromolecular chemistry, organic synthesis, non-synthetic organic chemistry, physical chemistry, and materials chemistry.