Chem. J. Chinese Universities ›› 2020, Vol. 41 ›› Issue (2): 204.doi: 10.7503/cjcu20190620
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XIAO Yuqing1,2,LI Shenhui1,*(
),TANG Jing1,2,XU Jun1,DENG Feng1,*()
Received:2019-12-02
Online:2020-02-10
Published:2019-12-31
Contact:
Shenhui LI,Feng DENG
E-mail:lishenhui@wipm.ac.cn;dengf@wipm.ac.cn
Supported by:CLC Number:
TrendMD:
XIAO Yuqing,LI Shenhui,TANG Jing,XU Jun,DENG Feng. Solid-state NMR Spectroscopy Studies on Structure, Dynamics and Host-guest Interaction in Metal-organic Framework Materials †[J]. Chem. J. Chinese Universities, 2020, 41(2): 204.
Fig.1 Structural demonstration of α-Mg3(HCOO)6(A), six unequivalent proton and carbon sites in α-Mg3(HCOO)6(B), 2D 1H-1H DQ MAS NMR spectra of α-Mg3(HCOO)6(C), the resolution of 1H MAS NMR spectra of α-Mg3(HCOO)6 largely improved by fast MAS speed and isotopic dilution(D), 1H MAS(E) and 13C CP/MAS(F) NMR spectra of activated α-Mg3(HCOO)6 and α-Mg3(HCOO)6 upon adsorption of DMF, benzene and pyridine[24] Copyright 2015, American Chemical Society.
Fig.2 Structural illustration of UiO-66 framework(A), three types of oxygen coordination in UiO-66(B) and 17O MAS and 1H-17O CP/MAS NMR spectra of 17O isotope enriched Zr-UiO-66[33](C) Copyright 2013, American Chemical Society.
Fig.3 67Zn MAS NMR spectra of ZIF-8, ZIF-14, and ZIF-4 recorded at 21.1 T(A) and model clusters representing the structure of ZIF-8, ZIF-14, and ZIF-4(B)[36] Copyright 2012, John Wiley and sons.
Fig.4 Molecular demostration of MTV-MOF-5-BF(A), 13C NMR spectra extracted from 13C{15N} REDOR experiment(B), 13C{15N} REDOR dephasing ratios and simulation curves using various models(C), and linker apportionment in MTV-MOF-5-BF(D)[45] Copyright 2013, American Association for the Advancement of Science.
Fig.5 Structure demonstration of ML-DUT-5(A), various proton sites in ML-DUT-5 labled for spectral assignment(B), 1H MAS NMR spectra of ML-DUT-5(C), 1H-1H 2D spin diffusion spectrum of ML-DUT-5(D) and 1H spin diffusion buildup curves of different linker apportionments(E)[47] Copyright 2015, John Wiley and sons.
Fig.6 2H NMR spectra of CID-Me at 195 K(A) and 298 K(B) and pore window composed of bpy and 5-Me-ip at 195 K(C) and 296 K(D)[66] Copyright 2018, John Wiley and sons.
Fig.7 Variable 2H NMR spectra of deuterated 1,4-benzene-dicarboxylate(BDC) linker fragments of UiO-66(Zr)(A), Arrhenius plot for the mean flipping rate constant in UiO-66(B) and rotation of the BDC aromatic rings in UiO-66(C)[70] Copyright 2012, American Chemical Society.
Fig.8 Structural demonstration of UiO-66-X(A), DIPSHIFT dephasing curves and scheme of linker rotation of UiO-66-X(B, C)[78] Copyright 2018, John Wiley and sons.
Fig.9 Structural demonstration of MOF-1001 pseudorotaxanes(A), organic linker of MOF-1001(B), PQT2+ adorbed on the organic linker(C) and 15N CP/MAS NMR spectra of MOF-1001 pseudorotaxanes(D)[82] Copyright 2009, American Association for the Advancement of Science.
Fig.10 DFT-optimized structural fragments(A1—A4), experimental and calculated distance(B1—B4), 13C MAS NMR spectra(C1—C4) of H2O@Cr-MIL-101(A1—C1), 2-AP@Cr-MIL-101(A2—C2), 3-AP@Cr-MIL-101(A3—C3), and DEA@Cr-MIL-101(A4—C4)[88] Copyright 2018, American Chemical Society.
Fig.11 13C CSA powder patterns of 13C-enriched CO2 in Mg2(dobdc) acquried at variable temperature(A, B), 13C lineshapes simulations for CO2 uniaxial rotation(C) and illustration of CO2 uniaxial rotation at the open Mg2+ site in Mg2(dobdc)(D)[94] Copyright 2012, American Chemical Society.
Fig.12 Variable-temperature 13C experimental(left) and simulated(right) NMR spectra of 13CO adsorbed on Mg-MOF-74(A) and schematic diagram illustrating the motions of CO(B) The # symbol denotes the resonance corresponding to mobile, isotropically tumbling CO[105]. Copyright 2016, John Wiley and sons.
Fig.13 Static variable temperature 2H NMR spectra of CH3D adsorbed within α-Mg3(HCO2)6(A) and DFT-optimized structure of methane-loaded α-Mg3(HCO2)6(B)[109] (A): Left column denotes the experimetal spectra(in blue); right column demonstrates the representive experimental spectra(in blue) and corresponding simulated spectra(in red). Copyright 2018, John Wiley and sons.
Fig.14 2D 1H-1H spin diffusion HOMCOR NMR spectra(A), 1H-13C HETCOR NMR spectra of UiO-67 upon methane adsorption with a spin diffusion mixing time of 36 ms(B) and schematic model of host-guest interaction between UiO-67 and light alkane(C)[110] Copyright 2017, American Chemical Society.
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