Mapping of Functional Groups in Metal-Organic Frameworks

We determined the heterogeneous mesoscale spatial apportionment of functional groups in a series of multivariate metal-organic frameworks (MTV-MOF-5) containing BDC (1,4-benzenedicarboxylate) linkers with different functional groups - B (BDC-NH2), E (BDC-NO2), F [(BDC-(CH3)2], H [BDC-(OC3H5) 2], and I [BDC-(OC7H7)2] - using solid-state nuclear magnetic resonance measurements combined with molecular simulations. Our analysis reveals that these methods discern between random (EF), alternating (EI and EHI), and various cluster (BF) forms of functional group apportionments. This combined synthetic, characterization, and computational approach predicts the adsorptive properties of crystalline MTV-MOF systems. This methodology, developed in the context of ordered frameworks, is a first step in resolving the more general problem of spatial disorder in other ordered materials, including mesoporous materials, functionalized polymers, and defect distributions within crystalline solids.


Published in:
Science, 341, 6148, 882-885
Year:
2013
ISSN:
0036-8075
Note:
Times Cited: 0
Kong, Xueqian Deng, Hexiang Yan, Fangyong Kim, Jihan Swisher, Joseph A. Smit, Berend Yaghi, Omar M. Reimer, Jeffrey A.
Laboratories:




 Record created 2014-08-14, last modified 2018-09-13

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