Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid.
Structure and properties of Al-MIL-53-ADP, a breathing MOF based on the aliphatic linker molecule adipic acid.
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Al-MIL-53-ADP（一种基于脂肪族连接分子己二酸的呼吸 MOF）的结构和性质
DOI：
10.1039/c5dt03510d
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发表时间：
2016
影响因子：
4
通讯作者：
N. Stock
中科院分区：
文献类型：
--
作者：
H. Reinsch;R. S. Pillai;R. Siegel;J. Senker;A. Lieb;G. Maurin;N. Stock
在溶剂热条件下合成了新型铝基金属有机骨架[Al（OH）（O2 C-C4 H8-CO2）]·H2O，记为Al-MIL-53-ADP-lp（lp代表大孔）。该固体是基于脂肪族单链连接分子己二酸（H2 ADP，己二酸）的典型对苯二甲酸铝Al-MIL-53的类似物。与芳香族对应物相比，Al-MIL-53-ADP仅在脱水/补水时表现出结构性呼吸行为。表示为Al-MIL-53-ADP-np（np代表窄孔）的无水化合物的晶体结构通过基于力场的计算和粉末X射线衍射数据的Rietveld精修的组合来确定，而水合形式Al-MIL-53-ADP-lp的结构通过基于力场的方法和密度泛函理论计算的组合来计算推导。这两种结构都得到了1H，13 C和27 Al高分辨率NMR MAS 1D数据的进一步支持，并再次与模拟相结合。通过振动光谱、元素分析、热重分析和水蒸气吸附进一步表征了Al-MIL-53-ADP。
The new aluminium based metal–organic framework [Al(OH)(O2C–C4H8–CO2)]·H2O denoted as Al-MIL-53-ADP-lp (lp stands for large pore) was synthesised under solvothermal conditions. This solid is an analogue of the archetypical aluminium terephthalate Al-MIL-53 based on the aliphatic single-chain linker molecule adipic acid (H2ADP, hexanedioic acid). In contrast to its aromatic counterparts, Al-MIL-53-ADP exhibits a structural breathing behaviour solely upon dehydration/rehydration. The crystal structure of the anhydrous compound denoted as Al-MIL-53-ADP-np (np stands for narrow pore) was determined by a combination of forcefield-based computations and Rietveld refinement of the powder X-ray diffraction data while the structure of the hydrated form Al-MIL-53-ADP-lp was derived computationally by a combination of force field based methods and Density Functional Theory calculations. Both structures were further supported by 1H, 13C and 27Al high-resolution NMR MAS 1D data coupled again with simulations. Al-MIL-53-ADP was further characterised by means of vibrational spectroscopy, elemental analysis, thermogravimetry and water vapour sorption.
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影响因子：
4.6
作者：
Niekiel, Felicitas;Lannoeye, Jeroen;Stock, Norbert
通讯作者：
Stock, Norbert
影响因子：
5.2
作者：
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通讯作者：
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使用从头计算和离子淌度质谱法分析糖肽离子的分子结构
DOI：
--
发表时间：
2019
期刊：
影响因子：
--
作者：
中村賀美;竹内孝江
通讯作者：
竹内孝江
NMR 晶体学：在无机材料中的应用。
影响因子：
3.2
作者：
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通讯作者：
C. Martineau
影响因子：
15
作者：
F. Vermoortele;M. Maes;Peyman Z. Moghadam;Matthew J. Lennox;F. Ragon;Mohammed Boulhout;Shyam Biswas-
通讯作者：
F. Vermoortele;M. Maes;Peyman Z. Moghadam;Matthew J. Lennox;F. Ragon;Mohammed Boulhout;Shyam Biswas-