Water in the micropores of CPO-27 metal-organic frameworks: A comprehensive study

IF 4.8 3区材料科学 Q1 CHEMISTRY, APPLIED

Microporous and Mesoporous Materials Pub Date : 2024-09-26 DOI:10.1016/j.micromeso.2024.113352

Marvin Kloß, Christian Weinberger, Michael Tiemann

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Abstract

The metal-organic framework CPO-27 exhibits free coordination sites (open metal sites) and can be prepared with a wide range of metals that influence its properties. It is therefore an intriguing structure to study sorption phenomena. We analyze the water resistance and sorption behavior of these frameworks, with particular attention to the sorption mechanism in detail and the structure of the confined water molecules. For this purpose, we use manometric water vapor sorption analysis and FTIR spectroscopy. The respective metal center orchestrates both the adsorption behavior and the arrangement of the water molecules in the micropores of the framework. The extent to which water molecules form hydrogen bonds (with each other and with framework oxygen atoms) plays a crucial role in the stability of the framework towards water. Water adsorption is governed by the coordination of water molecules to the open metal sites (except for CPO-27-Cu) and subsequent H-bonding. A stepwise adsorption of water is observed, with significant differences depending on the choice of metal.

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CPO-27 金属有机框架微孔中的水：综合研究

金属有机框架 CPO-27 具有自由配位位点（开放金属位点），可与多种影响其特性的金属一起制备。因此，这是一种研究吸附现象的有趣结构。我们分析了这些框架的耐水性和吸附行为，尤其关注吸附机理的细节和受限水分子的结构。为此，我们使用了测压水蒸气吸附分析和傅立叶变换红外光谱。相应的金属中心既能协调吸附行为，也能协调水分子在框架微孔中的排列。水分子（相互之间以及与框架氧原子之间）形成氢键的程度对框架对水的稳定性起着至关重要的作用。水的吸附受制于水分子与开放金属位点（CPO-27-Cu 除外）的配位以及随后的氢键作用。水的吸附是逐步进行的，不同金属的选择会产生显著差异。

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来源期刊

Microporous and Mesoporous Materials 化学-材料科学：综合

CiteScore

10.70

自引率

5.80%

发文量

649

审稿时长

26 days

期刊介绍： Microporous and Mesoporous Materials covers novel and significant aspects of porous solids classified as either microporous (pore size up to 2 nm) or mesoporous (pore size 2 to 50 nm). The porosity should have a specific impact on the material properties or application. Typical examples are zeolites and zeolite-like materials, pillared materials, clathrasils and clathrates, carbon molecular sieves, ordered mesoporous materials, organic/inorganic porous hybrid materials, or porous metal oxides. Both natural and synthetic porous materials are within the scope of the journal. Topics which are particularly of interest include: All aspects of natural microporous and mesoporous solids The synthesis of crystalline or amorphous porous materials The physico-chemical characterization of microporous and mesoporous solids, especially spectroscopic and microscopic The modification of microporous and mesoporous solids, for example by ion exchange or solid-state reactions All topics related to diffusion of mobile species in the pores of microporous and mesoporous materials Adsorption (and other separation techniques) using microporous or mesoporous adsorbents Catalysis by microporous and mesoporous materials Host/guest interactions Theoretical chemistry and modelling of host/guest interactions All topics related to the application of microporous and mesoporous materials in industrial catalysis, separation technology, environmental protection, electrochemistry, membranes, sensors, optical devices, etc.