权益分类	功能权益	普通用户	{{item.name}}会员
{{category.name}}	{{benefitItem.name}}

Mobility of the host framework and the guest molecules in nanoporous materials investigated by deuterium solid-state NMR and 1H MAS PFG NMR

通过氘固态 NMR 和 1H MAS PFG NMR 研究纳米多孔材料中主框架和客体分子的迁移率

基本信息

批准号：
259168689
负责人：
Professor Dr. Jürgen Haase
金额：
--
依托单位：
Boreskov Institute of Catalysis
依托单位国家：
德国
项目类别：
Research Grants
财政年份：
2014
资助国家：
德国
起止时间：
2013-12-31 至 2017-12-31
项目状态：
已结题

来源：
https://gepris.dfg.de/gepris/projekt/259168689?language=en
关键词：
Mobility host framework guest molecules

项目摘要

In the industrial application of nanoporous adsorbents in separation processes and in the chemical conversion by heterogeneous catalysis, the intracrystalline diffusivity is one of the key indicators for the efficiency of the process. Of particular importance is the diffusivity in mixtures, since separation and catalysis include a mass transport under the conditions of mixture adsorption. Metal-organic frameworks (MOFs) as compared with conventional zeolites exhibit a strong flexibility of the organic framework, which requires the study of the mobility of the framework in addition to the study of the mobility of the molecules and molecular groups. For exploring the molecular dynamics in mixtures, the 1H MAS PFG NMR diffusometry has proven to be suitable, as the preliminary investigations have shown in Leipzig. For the investigation of the dynamics of molecular groups and the flexibility of the organic framework the static solid-state 2H NMR spectroscopy of deuterated materials is particularly suitable and has been used very successfully in Novosibirsk on these systems. Therefore, in the proposed project, a merge of the know-how of both partners with the complementary methods is proposed, whereby the cooperation should enable the elucidation of the mechanisms of adsorption, diffusivity and separation of molecular mixtures taking into account the flexibility of the framework.

在纳米孔吸附剂在分离过程和多相催化化学转化中的工业应用中，晶内扩散系数是衡量过程效率的关键指标之一。尤其重要的是混合物中的扩散系数，因为在混合物吸附的条件下，分离和催化包括传质。与传统沸石相比，金属有机骨架(MOF)表现出很强的有机骨架的柔性，这就要求除了研究分子和分子基团的迁移性外，还需要研究骨架的迁移性。在莱比锡的初步研究表明，1H MAS PFG核磁共振扩散法已被证明适用于探索混合物中的分子动力学。为了研究分子基团的动力学和有机骨架的柔性，静态固态2H核磁共振氢谱特别适用，并且已经在新西伯利亚的这些系统上得到了非常成功的应用。因此，在拟议的项目中，建议将两个合作伙伴的专门知识与互补方法结合起来，从而使合作能够在考虑到框架的灵活性的情况下阐明分子混合物的吸附、扩散和分离机制。