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首页> 外文期刊>Crystal growth & design >A Series of Metal-Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2 Adsorption and Separation
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A Series of Metal-Organic Frameworks Built of Triazolate-Trinuclear and Paddlewheel Units: Solid-Solution Framework Approach for Optimizing CO2 Adsorption and Separation

机译：由三唑盐-三核和明轮轮装置构建的一系列金属有机框架：用于优化CO2吸附和分离的固溶框架方法

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Metal-organic frameworks with tunable functional groups like solid-solution have received considerable interest. In this paper, a crs-type structure built of [Zn-3(OH)(dmtrz)(3)] triazolate-trinuclear and [Zn-2(COO)(4)] paddlewheel units, linked by 3,5-dimethyl-1,2,4-triazolate (dmtrz) and isophthalate (ipa) ligands (named as MAC-4-A), has been used as a prototype framework. Four types of functional groups (B: 5-hydroxyisophthalate, C: 5-aminoisophthalate, D: 5-ethoxyisophthalate, and E: 5-acetamidoisophthalate) have been integrated into the framework, giving isostructures of MAC-4-B to E, respectively. Then, by the solid-solution framework approach, four group samples are prepared, which are MAC-4-AB-x, MAC-4-AC-x, MAC-4-AD-x, and MAC-4-AE-x (x denoted as the ratio of functional ligands in the framework, x = 0.3, 0.5, 0.7), and their CO2 and N-2 adsorptions have been studied. Our results revealed that the CO2 capacity is enhanced with the increase of functional groups and then decreases, showing a maximum uptake amount on MAC-4-AB-0.5, MAC-4-AC-0.5, MAC-4-AD-0.7, and MAC-4-AE-0.5 at 298 K and 1 bar, respectively. On the other hand, the calculated selectivity of CO2 over N-2 gradually increases, giving the highest selectivity after the pore surface is completely functionalized.
机译：具有可调功能基团（如固溶体）的金属有机框架受到了广泛的关注。在本文中，由[Zn-3（OH）（dmtrz）（3）]三唑三三核和[Zn-2（COO）（4）]桨轮单元构成的crs型结构，通过3,5-二甲基连接-1,2,4-三唑酸酯（dmtrz）和间苯二甲酸酯（ipa）配体（命名为MAC-4-A）已用作原型框架。四种类型的官能团（B：5-羟基间苯二甲酸酯，C：5-氨基间苯二甲酸酯，D：5-乙氧基间苯二甲酸酯和E：5-乙酰氨基间苯二甲酸酯）已整合到骨架中，分别赋予MAC-4-B到E的同构结构。然后，通过固溶框架方法，准备了四个组样本，分别是MAC-4-AB-x，MAC-4-AC-x，MAC-4-AD-x和MAC-4-AE-x （x表示骨架中功能性配体的比例，x = 0.3、0.5、0.7），并且已经研究了它们对CO2和N-2的吸附。我们的结果表明，CO2容量随官能团的增加而增强，然后降低，在MAC-4-AB-0.5，MAC-4-AC-0.5，MAC-4-AD-0.7和MAC-4-AE-0.5分别为298 K和1 bar。另一方面，计算得出的CO2对N-2的选择性逐渐增加，在孔表面完全官能化之后，具有最高的选择性。

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