Room temperature CO                         2                          fixation via cyclic carbonate synthesis over vanadium-MOF catalysts

Roshith Roshan Kuruppathparambil; Robin Babu; Hochan Jeong; Yun Hee Jang; Mi Hye Lee; Dae Won Park

doi:10.1007/s11814-019-0255-5

Room temperature CO ₂ fixation via cyclic carbonate synthesis over vanadium-MOF catalysts

Roshith Roshan Kuruppathparambil, Robin Babu, Hochan Jeong, Yun Hee Jang, Mi Hye Lee, Dae Won Park

Department of Energy and Science and Engineering

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	643-649
Number of pages	7
Journal	Korean Journal of Chemical Engineering
Volume	36
Issue number	5
DOIs	https://doi.org/10.1007/s11814-019-0255-5
State	Published - 1 May 2019

Bibliographical note

Publisher Copyright:
© 2019, The Korean Institute of Chemical Engineers.

Keywords

CO
Cyclic Carbonate
DFT
Epoxide
MIL-47/TBAB

Access to Document

10.1007/s11814-019-0255-5

Cite this

Kuruppathparambil, R. R., Babu, R., Jeong, H., Jang, Y. H., Lee, M. H., & Park, D. W. (2019). Room temperature CO ₂ fixation via cyclic carbonate synthesis over vanadium-MOF catalysts Korean Journal of Chemical Engineering, 36(5), 643-649. https://doi.org/10.1007/s11814-019-0255-5

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title = " Room temperature CO 2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts ",

abstract = " 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.",

keywords = "CO, Cyclic Carbonate, DFT, Epoxide, MIL-47/TBAB",

author = "Kuruppathparambil, {Roshith Roshan} and Robin Babu and Hochan Jeong and Jang, {Yun Hee} and Lee, {Mi Hye} and Park, {Dae Won}",

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Kuruppathparambil, RR, Babu, R, Jeong, H, Jang, YH, Lee, MH & Park, DW 2019, ' Room temperature CO ₂ fixation via cyclic carbonate synthesis over vanadium-MOF catalysts ', Korean Journal of Chemical Engineering, vol. 36, no. 5, pp. 643-649. https://doi.org/10.1007/s11814-019-0255-5

Room temperature CO ₂ fixation via cyclic carbonate synthesis over vanadium-MOF catalysts . / Kuruppathparambil, Roshith Roshan; Babu, Robin; Jeong, Hochan et al.
In: Korean Journal of Chemical Engineering, Vol. 36, No. 5, 01.05.2019, p. 643-649.

Research output: Contribution to journal › Article › peer-review

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T1 - Room temperature CO 2 fixation via cyclic carbonate synthesis over vanadium-MOF catalysts

AU - Kuruppathparambil, Roshith Roshan

AU - Babu, Robin

AU - Jeong, Hochan

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AU - Lee, Mi Hye

AU - Park, Dae Won

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AB - 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.

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