基于X-射线单晶衍射精准构筑簇基金属有机框架及其CO2催化转化

doi:10.12461/PKU.DXHX202511033

摘要/Abstract

摘要： 为响应国家科技兴邦与可持续战略，本研究将前沿成果融入教学，旨在增强学生社会责任感，拓展专业与学术视野，培养科学思维、创新能力与实践能力，激发科研热情。诺贝尔奖前沿材料金属有机框架(MOFs)，尤其是簇基MOFs，因结构可调、稳定性高且活性位点丰富，在CO₂催化转化中展现出广阔前景，已成国内外研究热点。但簇基MOFs合成仍面临“黑箱反应”带来的不可预测性与结构精确调控的挑战。本文以X-射线单晶衍射解析金属团簇结构为起点，系统介绍了从零维金属团簇“自下而上”构筑簇基MOFs的研究进展，并从金属团簇中心、有机配体及孔道客体分子三方面深入探讨调控其CO₂催化性能的策略。通过精选的典型案例，有助于本科生直观理解X-射线单晶衍射、簇基MOFs及CO₂催化转化等前沿动态，拓展其相关领域认知。

关键词: 簇基金属有机框架, 二氧化碳, 催化转化, X-射线单晶衍射, 团簇

Abstract: Aligned with the national strategy of revitalizing the nation through science and technology while promoting sustainable development, this study incorporates cutting-edge research achievements into teaching. The objectives are to enhance students' social responsibility, broaden their professional and academic perspectives, cultivate scientific thinking and innovation capabilities, strengthen practical skills, and inspire enthusiasm for scientific research. Nobel Prize-level advanced materials such as metal-organic frameworks (MOFs), particularly cluster-based MOFs, have emerged as a global research focus due to their tunable structures, high stability, and abundant active sites, demonstrating significant potential in CO₂ catalytic conversion. However, challenges remain in the synthesis of cluster-based MOFs, including unpredictability caused by “black-box reactions” and difficulties in precise structural control. Beginning with structural analysis of metal clusters using X-ray single-crystal diffraction, this paper systematically reviews the “bottom-up” construction of cluster-based MOFs from zero-dimensional metal clusters. Furthermore, it explores strategies for modulating their CO₂ catalytic performance through three key aspects: metal cluster centers, organic ligands, and pore-channel guest molecules. By examining carefully selected representative cases, this study enables undergraduate students to intuitively understand advancements in X-ray single-crystal diffraction, cluster-based MOFs, and CO₂ catalytic conversion, thereby expanding their knowledge in these fields.

Key words: Cluster-based metal-organic frameworks, Carbon dioxide, Catalytic conversion, X-ray single crystal diffraction, Cluster

于莹莹, 徐航. 基于X-射线单晶衍射精准构筑簇基金属有机框架及其CO₂催化转化[J]. 大学化学, 2026, 41(10): 132-142.

Yingying Yu, Hang Xu. Construction of cluster-based metal-organic frameworks via single-crystal X-ray diffraction for CO₂ conversion[J]. University Chemistry, 2026, 41(10): 132-142.

链接本文: https://www.dxhx.pku.edu.cn/CN/10.12461/PKU.DXHX202511033

https://www.dxhx.pku.edu.cn/CN/Y2026/V41/I10/132

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基于X-射线单晶衍射精准构筑簇基金属有机框架及其CO₂催化转化

Construction of cluster-based metal-organic frameworks via single-crystal X-ray diffraction for CO₂ conversion

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