多配体金属有机框架材料的固体核磁表征

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• 英文论文题名：Solid-state NMR Characterization of Metal-organic Frameworks with Multivariate Functional Groups
• 论文作者：孔学谦
• 年：2016
• 作者机构：浙江大学化学系玉泉校区;
• 论文关键词：固体核磁共振 ; 金属有机框架材料
• 会议召开时间：2016-07-01
• 会议录名称：中国化学会第30届学术年会摘要集-第三十五分会：纳米表征与测量
• 语种：中文
• 分类号：O641.4
• 学会代码：ZGHY
• 会议名称：中国化学会第30届学术年会-第三十五分会 ; 纳米表征与测量
• 会议地点：中国辽宁大连
• 主办单位：中国化学会
• 学会名称：中国化学会
• 页数：1
• 文件大小：239k
• 原文格式：D
• 会议级别：全国

摘要

MOF材料由于其巨大的内表面积,可控的孔道结构和化学环境,在气体分离,异相催化,药物传输等领域有广阔的应用前景。在MOF中引入不同官能团是材料科学领域的前瞻方向,不同的官能团可调节微尺度的化学活性,大大增加材料功能的多样性,但是测定MOF材料中官能团的空间分布是目前材料学科面临的难题。为此报告人设计了固体核磁与结构模拟相结合的研究方法:首先由多维固态核磁技术(REDOR)测量MOF中不同官能团的空间距离,再结合晶格结构模拟计算,构建出官能团分布的空间模型,区别了微尺度的集中分布和分散分布。此方法不但为此类多配体MOF材料的表征带来突破,而且对众多有机材料中无序分布结构的表征有指导意义[1]。
Because of their unprecedented surface area as well as their controllable pore structure and chemical environment, metal-organic frameworks show great promise in the applications of gas separation, heterogeneous catalysis, drug delivery and more. Introducing multivariate functional groups into MOFs is a useful strategy to fine-tune the chemical properties of the micro-environment and increase the variability of functions. However, characterization of the spatial arrangement of these different functional groups has been a challenging hurdle for the community of materials scientists. Relying on the unique capability of solid-state NMR, we developed a general methodology to address the spatial distribution of chemical groups. We measured the inter-nuclear distances between functional groups with REDOR NMR and feed them to reconstruct the 3D MOF lattice by Monte Carlo simulation. With our results, we managed to distinguish different spatial arrangements such as group and random distributions. This method opens a novel way to characterize the disordered structures in composite organic materials.

引文

[1]X.Kong,H.Deng,F.Yan,J.Kim,J.A.Swisher,B.Smit,O.M.Yaghi,J.A.Reimer.Science2013 341,882-885