A predictive tool termed the linker to metal cluster (LiMe) ratio is introduced as a method for understanding surface area in microporous coordination polymers (MCPs). Calibrated with geometric accessible surface circa computations, the LiMe ratio uses molecular weight of building block components to indicate the maximum attainable surface area for a given linker and metal cluster combination. MOF-5 and HKUST-1 are used as prototypical structures to analyze MCPs with octahedral M4O(CO2R)(6) and paddlewheel M2O(CO2R)(4) metal clusters. Insight into the effects ()Clinker size. geometry, number of coordinating groups. and framework interpenetration is revealed through the LiMe ratio analysis of various MCPs. Experimental surface area deviation provides indication that a material may suffer from incomplete guest removal, structural collapse, or interpenetration. Because minimal data input;ire required, the LiMe ratio surface area analysis is suggested as a quick method for experimental verification as well as a guide for the design of new materials.
机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Chae, HK
Siberio-Pérez, DY
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Siberio-Pérez, DY
Kim, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Kim, J
Go, Y
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Go, Y
Eddaoudi, M
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Eddaoudi, M
Matzger, AJ
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Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USAUniv Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Matzger, AJ
O'Keeffe, M
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
O'Keeffe, M
Yaghi, OM
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Eddaoudi, M
Kim, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Kim, J
Rosi, N
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Rosi, N
Vodak, D
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Vodak, D
Wachter, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Wachter, J
O'Keeffe, M
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
O'Keeffe, M
Yaghi, OM
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Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USAUniv Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Chae, HK
Siberio-Pérez, DY
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Siberio-Pérez, DY
Kim, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Kim, J
Go, Y
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Go, Y
Eddaoudi, M
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Eddaoudi, M
Matzger, AJ
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机构:
Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USAUniv Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Matzger, AJ
O'Keeffe, M
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
O'Keeffe, M
Yaghi, OM
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Eddaoudi, M
Kim, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Kim, J
Rosi, N
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Rosi, N
Vodak, D
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Vodak, D
Wachter, J
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机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
Wachter, J
O'Keeffe, M
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h-index: 0
机构:Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA
O'Keeffe, M
Yaghi, OM
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机构:
Univ Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USAUniv Michigan, Dept Chem, Mat Design & Discovery Grp, Ann Arbor, MI 48109 USA