Lancheros Andrés, Goswami Subhadip, Zarate Ximena, Schott Eduardo, Hupp Joseph T
Department of Inorganic Chemistry, Faculty of Chemistry and Pharmacy, UC Energy Center, Center for Research in Nanotechnology and Advanced Materials (CIEN-UC), Pontificia Universidad Católica de Chile, Av. Vicuña Mackenna 4860, Santiago, Chile.
ANID - Millennium Science Initiative Program - Millennium Nuclei on Catalytic Process Towards Sustainable Chemistry (CSC), Chile.
Dalton Trans. 2024 Aug 20;53(33):14028-14036. doi: 10.1039/d4dt01457j.
A novel MOF named [Zn(L)(DMF)] was synthesized using solvothermal methods from the reaction of the new linker (4,4',4''-(4,4',4''-(benzene-1,3,5-triyltris(methylene))tris(3,5-dimethyl-1-pyrazole-4,1-diyl))tribenzoic acid) and Zn(NO)·6HO. This new MOF was characterized by means of different techniques: powder X-ray diffraction, N adsorption and desorption isotherms, thermogravimetric analysis, and scanning electron microscopy. Furthermore, suitable crystals were obtained, which allowed us to perform the X-Ray structure determination of this MOF. The capability of these new MOF to adsorb CO at different temperatures was measured and its isosteric enthalpy of adsorption was calculated. The novel MOF shows an uncommon node composed of a Zn(-COO)(DMF), and the asymmetric unit contains one crystallographically independent linker, one DMF molecule, and two Zn atoms. The [Zn(L)(DMF)] MOF is a microporous material with high crystallinity and stability up to 250 °C. The multiple nitrogenated pyrazole linkers in its framework enhance its CO adsorption capabilities. This material exhibits a low CO isosteric enthalpy of adsorption (), comparable to previously reported values for similar nitrogenated materials. All the observed CO adsorption capacities were further supported by DFT calculations.
一种名为[Zn(L)(DMF)]的新型金属有机框架化合物（MOF）通过溶剂热法由新型连接体（4,4',4''-(4,4',4''-(苯-1,3,5-三(亚甲基))三(3,5-二甲基-1-吡唑-4,1-二基))三苯甲酸）与Zn(NO)·6HO反应合成。这种新型MOF通过不同技术进行了表征：粉末X射线衍射、N吸附和解吸等温线、热重分析以及扫描电子显微镜。此外，获得了合适的晶体，这使我们能够对该MOF进行X射线结构测定。测量了这些新型MOF在不同温度下吸附CO的能力，并计算了其吸附等量焓。该新型MOF显示出由Zn(-COO)(DMF)组成的不寻常节点，不对称单元包含一个晶体学独立的连接体、一个DMF分子和两个Zn原子。[Zn(L)(DMF)] MOF是一种具有高结晶度且在高达250°C时具有稳定性的微孔材料。其框架中多个含氮吡唑连接体增强了其对CO的吸附能力。这种材料表现出较低的CO吸附等量焓（），与先前报道的类似含氮材料的值相当。所有观察到的CO吸附容量都得到了密度泛函理论（DFT）计算的进一步支持。
