| 학회 |
한국화학공학회 |
| 학술대회 |
2013년 가을 (10/23 ~ 10/25, 대구 EXCO) |
| 권호 |
19권 2호, p.2054 |
| 발표분야 |
촉매 및 반응공학 |
| 제목 |
Amino acids/KI as natural bi-functional catalyst for cyclic carbonate synthesis; A DFT assisted mechanistic approach |
| 초록 |
Naturally occurring amino acids (AA) were identified as efficient co-catalysts for alkali metal halide (MX) mediated synthesis of cyclic carbonates from CO2 and epoxides under mild reaction conditions of 1 MPa and 120 oC in 3 h under solvent free conditions. The bi-functional system of histidine/KI procured an appreciable TON of 535 for propylene oxide and the detailed studies done with a variety of amino acids revealed that, the basic amino acids afford better conversion rates. The formation of a seven membered ring by the zwitter ionic ends of the amino acid and KI and the epoxide was considered to accelerate the catalysis rate. Quantum mechanical studies using density functional theory were applied to have more insight into the mechanism behind the catalysis. The iodide ions of the MX displayed excellent synergism with the hydrogen bonding groups of the amino acids in the production of cyclic carbonates whereas the bromide and chloride anions were found to have lesser synergistic abilities in the context of cyclic carbonate synthesis. |
| 저자 |
Kuruppathparambil Roshan Roshith, 김보미, 박대원
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| 소속 |
부산대 |
| 키워드 |
amino acid; carbon dioxide; cyclic carbonate; epoxide; DFT
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| E-Mail |
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| 원문파일 |
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