Room temperature CO2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts

Vanadium containing 3D MOF, MIL-47 displayed excellent synergistic catalysis with alkyl ammonium halides (TBAX) in the room temperature fixation of CO 2 . Theoretical intrinsic-reaction-coordinate calculations were performed at the level of M06/LACVP**++ implemented in Jaguar v8.5 software to ascert...

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Bibliographic Details
Published in:The Korean journal of chemical engineering 2019, 36(5), 230, pp.643-649
Main Authors: Kuruppathparambil, Roshith Roshan, Babu, Robin, Jeong, Hochan, Jang, Yun Hee, Lee, Mi Hye, Park, Dae-Won
Format: Article
Language:English
Subjects:
Ammonium halides
Biotechnology
Carbon dioxide
Catalysis
Chemical synthesis
Chemistry
Chemistry and Materials Science
Fixation
Halides
Industrial Chemistry/Chemical Engineering
Materials Science
Reaction Engineering
Room temperature
Vanadium
화학공학
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Summary:Vanadium containing 3D MOF, MIL-47 displayed excellent synergistic catalysis with alkyl ammonium halides (TBAX) in the room temperature fixation of CO 2 . Theoretical intrinsic-reaction-coordinate calculations were performed at the level of M06/LACVP**++ implemented in Jaguar v8.5 software to ascertain the mechanistic pathways of catalysis. A homogeneous complex of vanadium, vanadium acetyl acetonato [VO(acac) 2 ], was used as a model system to investigate the mechanism behind the synergistic activity of the MIL-47/TBAX, which indeed shows that the activation energy of the CO 2 fixation is considerably lowered by about 30–35 kcal compared to the uncatalyzed reactions.
ISSN:0256-1115
1975-7220
DOI:10.1007/s11814-019-0255-5