Chinese Journal of Magnetic Resonance ›› 2023, Vol. 40 ›› Issue (2): 192-206.doi: 10.11938/cjmr20223027
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HE Caiyan1,2,XIAO Yuqing1,2,LI Shenhui1,*(
),XU Jun1,DENG Feng1,#()
Received:2022-10-10
Published:2023-06-05
Online:2022-11-03
Contact:
LI Shenhui,DENG Feng
E-mail:lishenhui@wipm.ac.cn;dengf@wipm.ac.cn
CLC Number:
HE Caiyan,XIAO Yuqing,LI Shenhui,XU Jun,DENG Feng. Solid-state NMR Investigation of the Host-guest Interactions in Gas Adsorption and Chemical Separation Using MOFs as Adsorbents[J]. Chinese Journal of Magnetic Resonance, 2023, 40(2): 192-206.
Fig. 1
(a, b) SCXRD structure of C2H2 loaded on Cu(INAIP) at 110 K; (c) DFT optimized C2H2 local environment; (d) Electron density plots of C2H2 and oxygen sites of the carboxylate groups; (e) Variable temperature (VT) 2H NMR spectra of C2D2 loaded on Cu(INAIP)[30]
Fig. 2
Static variable temperature 17O NMR spectra of C17O2 adsorbed on (a) Mg-CPO-27 and (b) Zn-CPO-27 at temperatures ranging from 150 to 403 K. (c)~(d) Temperature-dependence of quadrupole coupling constant (CQ) and chemical shift anisotropy (CSA) span (Ω) of C17O2 adsorbed in M-CPO-27. (e)~(f) Dynamic motion of adsorbed CO2 molecules in Mg-CPO-27. Adsorbed CO2 mainly undergoes two different motions: (e) wobbling and (f) hopping[40]
Fig. 3
(a) 1H MAS NMR spectra of ethane/ethylene co-adsorbed on ZIF-8, ZIF-90 and ZIF-8-90 at 1.9 bar; (b) Ethane selectivity in ZIF-8, ZIF-90 and ZIF-8-90 determined by IAST predications and 1H MAS NMR experiments; (c) 2D 1H-1H T2-filtered spin diffusion homo-nuclear correlation NMR spectra and extracted F2 slices of ZIF-8 upon adsorption of ethane and ethylene at 1.1 bar; Density distribution contours for equi-molar mixtures of ethane (d) and ethylene (e) on ZIF-8 at 1 bar[51]
Fig. 4
(a) 1H MAS NMR spectra of propane/propylene co-adsorbed on ZIF-8 at 1.1, 1.9, 5.8 and 9.6 bar; (b) 2D 1H-1H COSY MAS NMR spectrum of propane/propylene co-adsorbed on ZIF-8 at 9.6 bar; (c) Propane selectivity in ZIF-8 determined by IAST predications and 1H MAS NMR experiments; (d) 2D 1H-1H T2-filtered spin diffusion homo-nuclear correlation NMR spectra and extracted F2 slices of ZIF-8 upon adsorption of propane and propylene at 1.1 bar; (e) Spin diffusion buildup curves for the designated polarization transfer pathway from propane CH3 and CH2-group to ZIF-8 framework[52]
Fig. 5
(a)~(f) 1H MAS spectra of dehydrated Cu3(btc)2 and upon adsorption of (a) 0.5, (b) 0.75, (c) 1, (d) 1.5, (e) 2, and (f) 5 mole equivalents of water with respect to copper loaded on Cu3(btc)2; (g) 1H MAS NMR spectra of water (1 mole equivalents with respect to copper) loaded on Cu3(btc)2 over a period of time after adsorption; 13C direct polarization (DP) MAS spectra of (h) 1 and (i) 2 mole equivalents of water with respect to copper loaded on Cu3(btc)2 over a period of time after adsorption[57]
Fig. 6
(a) 1H and 13C MAS NMR spectra of acetone adsorbed on UiO-66(Zr) at different loadings; (b) 2D 1H-1H homonuclear exchange NMR spectrum of UiO-66(Zr) loaded with 40% acetone[62]
Fig. 7
(a) 13C single pulse (SP) and cross polarization (CP) NMR spectra of ZIF-11 loaded with 1 mol/L 1:1 glycerol:ethanol solution; (b) Time-dependence of 13C SP NMR spectra of ZIF-11 loaded with 1:1 glycerol:ethanol solution; (c) Structural transformation of ZIF-7-III from ZIF-11 upon the removal of guest solvents[65]
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