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|Title:||A flexible copper based microporous metal-organic framework displaying selective adsorption of hydrogen over nitrogen|
Molecular dynamics methods
|Publisher:||Royal Society of Chemistry|
|Citation:||Nadeem, M.A., Thornton, A.W., Hill, M.R., Stride, J.A. (2011). A flexible copper based microporous metal-organic framework displaying selective adsorption of hydrogen over nitrogen. Dalton Transactions, 40(13), 3398-3401. doi:10.1039/c0dt01531h|
|Abstract:||A microporous metal-organic framework [Cu-3(ipO)(2)(pyz)(2)](n), (ipO = 2-hydroxyisophthalic acid, pyz = pyrazine) was synthesized via an in situ. ligand transformation reaction. The microporous framework displays helical arrays of ipo ligands holding the Cu atoms in 2D sheets, whilst the coordination of pyz molecules acts to arrange these sheets into a microporous 3D structure. Remarkable selective sorption behaviour (>5) for H-2 over N-2 is observed and explained with molecular dynamics simulations.© 2011, Royal Society of Chemistry.|
|Gov't Doc #:||3414|
|Appears in Collections:||Journal Articles|
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