Desulfurization Efficiency Preserved in a Heterometallic MOF: Synthesis and Thermodynamically Controlled Phase Transition.
Yi HanMichael A SinnwellSimon J TeatMaria L SushkoMark E BowdenQuin R S MillerHerbert T SchaefLili LiuZimin NieJun LiuPraveen K ThallapallyPublished in: Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2019)
Efficient removal of heterocyclic organosulfur compounds from fuels can relieve increasingly serious environmental problems (e.g., gas exhaust contaminants triggering the formation of acid rain that can damage fragile ecological systems). Toward this end, novel metal-organic frameworks (MOFs)-based sorbent materials are designed and synthesized with distinct hard and soft metal building units, specifically {[Yb6Cu12(OH)4(PyC)12(H2O)36]·(NO3)14·xS} n (QUST-81) and {[Yb4O(H2O)4Cu8(OH)8/3(PyC)8(HCOO)4]·(NO3)10/3·xS} n (QUST-82), where H2PyC = 4-Pyrazolecarboxylic acid. Exploiting the hard/soft duality, it is shown that the more stable QUST-82 can preserve desulfurization efficiency in the presence of competing nitrogen-containing contaminate. In addition, thermodynamically controlled single-crystal-to-single-crystal (SC-SC) phase transition is uncovered from QUST-81 to QUST-82, and in turn, mechanistic features are probed via X-ray diffraction, inductively coupled plasma atomic emission spectroscopy, and ab initio molecular dynamics simulations.
Keyphrases
- metal organic framework
- molecular dynamics simulations
- solid state
- high resolution
- molecular docking
- electron microscopy
- human health
- mental health
- oxidative stress
- energy transfer
- climate change
- single molecule
- magnetic resonance imaging
- drinking water
- living cells
- room temperature
- sensitive detection
- mass spectrometry
- quantum dots
- carbon dioxide
- capillary electrophoresis
- amino acid
- liquid chromatography