FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3049767573> ?p ?o ?g. }

• W3049767573 endingPage "15658" @default.
• W3049767573 startingPage "15646" @default.
• W3049767573 abstract "Designing porous materials which can selectively adsorb CO2 or CH4 is an important environmental and industrial goal which requires an understanding of the host–guest interactions involved at the atomic scale. Metal–organic polyhedra (MOPs) showing permanent porosity upon desolvation are rarely observed. We report a family of MOPs (Cu-1a, Cu-1b, Cu-2), which derive their permanent porosity from cavities between packed cages rather than from within the polyhedra. Thus, for Cu-1a, the void fraction outside the cages totals 56% with only 2% within. The relative stabilities of these MOP structures are rationalized by considering their weak nondirectional packing interactions using Hirshfeld surface analyses. The exceptional stability of Cu-1a enables a detailed structural investigation into the adsorption of CO2 and CH4 using in situ X-ray and neutron diffraction, coupled with DFT calculations. The primary binding sites for adsorbed CO2 and CH4 in Cu-1a are found to be the open metal sites and pockets defined by the faces of phenyl rings. More importantly, the structural analysis of a hydrated sample of Cu-1a reveals a strong hydrogen bond between the adsorbed CO2 molecule and the Cu(II)-bound water molecule, shedding light on previous empirical and theoretical observations that partial hydration of metal−organic framework (MOF) materials containing open metal sites increases their uptake of CO2. The results of the crystallographic study on MOP–gas binding have been rationalized using DFT calculations, yielding individual binding energies for the various pore environments of Cu-1a." @default.
• W3049767573 created "2020-08-21" @default.
• W3049767573 creator A5015509328 @default.
• W3049767573 creator A5017707042 @default.
• W3049767573 creator A5018478746 @default.
• W3049767573 creator A5027397216 @default.
• W3049767573 creator A5034915235 @default.
• W3049767573 creator A5047123053 @default.
• W3049767573 creator A5054312317 @default.
• W3049767573 creator A5062943021 @default.
• W3049767573 creator A5069699930 @default.
• W3049767573 creator A5073383060 @default.
• W3049767573 creator A5075442699 @default.
• W3049767573 creator A5077918810 @default.
• W3049767573 creator A5078279657 @default.
• W3049767573 creator A5078765785 @default.
• W3049767573 creator A5084750854 @default.
• W3049767573 creator A5086035397 @default.
• W3049767573 creator A5087618485 @default.
• W3049767573 date "2020-10-12" @default.
• W3049767573 modified "2023-10-15" @default.
• W3049767573 title "Porous Metal–Organic Polyhedra: Morphology, Porosity, and Guest Binding" @default.
• W3049767573 cites W1865924787 @default.
• W3049767573 cites W1876006411 @default.
• W3049767573 cites W1924752407 @default.
• W3049767573 cites W1965944206 @default.
• W3049767573 cites W1967755356 @default.
• W3049767573 cites W1969101070 @default.
• W3049767573 cites W1969360633 @default.
• W3049767573 cites W1977784561 @default.
• W3049767573 cites W1985082738 @default.
• W3049767573 cites W1989814814 @default.
• W3049767573 cites W1990635754 @default.
• W3049767573 cites W2002771173 @default.
• W3049767573 cites W2008708346 @default.
• W3049767573 cites W2011844464 @default.
• W3049767573 cites W2012488984 @default.
• W3049767573 cites W2015757953 @default.
• W3049767573 cites W2024175762 @default.
• W3049767573 cites W2026081647 @default.
• W3049767573 cites W2026172453 @default.
• W3049767573 cites W2038477944 @default.
• W3049767573 cites W2038530321 @default.
• W3049767573 cites W2050863372 @default.
• W3049767573 cites W2051483672 @default.
• W3049767573 cites W2052583527 @default.
• W3049767573 cites W2060217230 @default.
• W3049767573 cites W2062904068 @default.
• W3049767573 cites W2068851128 @default.
• W3049767573 cites W2081321906 @default.
• W3049767573 cites W2084052991 @default.
• W3049767573 cites W2086178214 @default.
• W3049767573 cites W2086917649 @default.
• W3049767573 cites W2088636478 @default.
• W3049767573 cites W2089492798 @default.
• W3049767573 cites W2092010193 @default.
• W3049767573 cites W2092157292 @default.
• W3049767573 cites W2093658962 @default.
• W3049767573 cites W2094145140 @default.
• W3049767573 cites W2104613429 @default.
• W3049767573 cites W2108521439 @default.
• W3049767573 cites W2110343285 @default.
• W3049767573 cites W2112307556 @default.
• W3049767573 cites W2113586689 @default.
• W3049767573 cites W2128615701 @default.
• W3049767573 cites W2133413783 @default.
• W3049767573 cites W2134065955 @default.
• W3049767573 cites W2142699453 @default.
• W3049767573 cites W2145780146 @default.
• W3049767573 cites W2148941593 @default.
• W3049767573 cites W2150842775 @default.
• W3049767573 cites W2151042718 @default.
• W3049767573 cites W2153515654 @default.
• W3049767573 cites W2153675155 @default.
• W3049767573 cites W2165801273 @default.
• W3049767573 cites W2167870411 @default.
• W3049767573 cites W2172269778 @default.
• W3049767573 cites W2236267038 @default.
• W3049767573 cites W2293794072 @default.
• W3049767573 cites W2322229116 @default.
• W3049767573 cites W2323873465 @default.
• W3049767573 cites W2327207876 @default.
• W3049767573 cites W2327441974 @default.
• W3049767573 cites W2328311706 @default.
• W3049767573 cites W2328643262 @default.
• W3049767573 cites W2331656156 @default.
• W3049767573 cites W2333033211 @default.
• W3049767573 cites W2340495148 @default.
• W3049767573 cites W2344354032 @default.
• W3049767573 cites W2406219063 @default.
• W3049767573 cites W2418628397 @default.
• W3049767573 cites W2556691068 @default.
• W3049767573 cites W2736356587 @default.
• W3049767573 cites W2756248299 @default.
• W3049767573 cites W2759001603 @default.
• W3049767573 cites W2769202919 @default.
• W3049767573 cites W2791753012 @default.
• W3049767573 cites W2802086534 @default.

• next