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Cited by 354

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A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks

Morris, William, Leung, Belinda, Furukawa, Hiroyasu, Yaghi, Omar K., He, Ning, Hayashi, Hideki, Houndonougbo, Yao, Asta, Mark, Laird, Brian B., Yaghi, Omar M.·2010·Journal of the American Chemical Society

Abstract

A series of five zeolitic imidazolate frameworks (ZIFs) have been synthesized using zinc(II) acetate and five different 4,5-functionalized imidazole units, namely ZIF-25, -71, -93, -96, and -97. These 3-D porous frameworks have the same underlying topology (RHO) with Brunauer-Emmet-Teller surface areas ranging from 564 to 1110 m(2)/g. The only variation in structure arises from the functional groups that are directed into the pores of these materials, which include -CH(3), -OH, -Cl, -CN, -CHO, and -NH(2); therefore these 3-D frameworks are ideal for the study of the effect of functionality on CO(2) uptake. Experimental results show CO(2) uptake at approximately 800 Torr and 298 K ranging from 0.65 mmol g(-1) in ZIF-71 to 2.18 mmol g(-1) in ZIF-96. Molecular modeling calculations reproduce the pronounced dependence of the equilibrium adsorption on functionalization and suggest that polarizability and symmetry of the functionalization on the imidazolate are key factors leading to high CO(2) uptake.

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Authors
Morris, W., Leung, B., Furukawa, H., Yaghi, O. K., He, N., Hayashi, H., Houndonougbo, Y., Asta, M., Laird, B. B., & Yaghi, O. M.
Venue
Journal of the American Chemical Society
Published
2010-07-27
Volume
132
Issue
32
Pages
11006-11008
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
OpenAlex
W2007548657
Cited by
354
References
1
FWCI
60.84
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks. https://app.cochat.ai/papers/10.1021/ja104035j
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Morris, W., Leung, B., Furukawa, H., Yaghi, O. K., He, N., Hayashi, H., Houndonougbo, Y., Asta, M., Laird, B. B., & Yaghi, O. M. (2010). A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks. Journal of the American Chemical Society. https://doi.org/10.1021/ja104035j

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