Ligand and Metal Effects on the Stability and Adsorption Properties of an Isoreticular Series of MOFs Based on T-Shaped Ligands and Paddle-Wheel Secondary Building Units

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• 作者：Ying Xiong ; Yan-Zhong Fan ; Dr. Daiane Damasceno Borges ; Cheng-Xia Chen ; Zhang-Wen Wei ; Hai-Ping Wang ; Dr. Mei Pan ; Dr. Ji-Jun Jiang ; Prof. Guillaume Maurin and Prof. Cheng-Yong Su
• 刊名：Chemistry - A European Journal
• 出版年：2016
• 出版时间：November 2, 2016
• 年：2016
• 卷：22
• 期：45
• 页码：16147-16156
• 全文大小：3199K
• ISSN：1521-3765

文摘

The synthesis of stable porous materials with appropriate pore size and shape for desired applications remains challenging. In this work a combined experimental/computational approach has been undertaken to tune the stability under various conditions and the adsorption behavior of a series of MOFs by subtle control of both the nature of the metal center (Co²⁺, Cu²⁺, and Zn²⁺) and the pore surface by the functionalization of the organic linkers with amido and N-oxide groups. In this context, six isoreticular MOFs based on T-shaped ligands and paddle-wheel units with ScD_0.33 topology have been synthesized. Their stabilities have been systematically investigated along with their ability to adsorb a wide range of gases (N₂, CO₂, CH₄, CO, H_2, light hydrocarbons (C₁–C₄)) and vapors (alcohols and water). This study has revealed that the MOF frameworks based on Cu²⁺ are more stable than their Co²⁺ and Zn²⁺ analogues, and that the N-oxide ligand endows the MOFs with a higher affinity for CO₂ leading to excellent selectivity for this gas over other species.