作者
Xueqian Kong, Hexiang Deng, Fangyong Yan, Jihan Kim, Joseph A Swisher, Berend Smit, Omar M Yaghi, Jeffrey A Reimer
发表日期
2013/8/23
期刊
Science
卷号
341
期号
6148
页码范围
882-885
出版商
American Association for the Advancement of Science
简介
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 …
学术搜索中的文章
X Kong, H Deng, F Yan, J Kim, JA Swisher, B Smit… - Science, 2013