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  • 1.
    Feng, X.
    et al.
    Stockholms Universitet.
    Edén, M.
    Stockholms Universitet.
    Brinkmann, A.
    Stockholms Universitet.
    Luthman, H.
    Eriksson, L.
    Gräslund, A.
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Levitt, M.H.
    Direct determination of a peptide torsional angle Ψ by double-quantum solid-state NMR1997In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 119, p. 12006-12007Article in journal (Other academic)
  • 2.
    Lal, Garima
    et al.
    University of Calgary, Calgary, Canada.
    Derakhshandeh, Maziar
    University of Calgary, Calgary, Canada.
    Akhtar, Farid
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Spasyuk, Denis M.
    Canadian Light Source, Saskatoon, Canada.
    Lin, Jian-Bin
    University of Calgary, Calgary, Canada.
    Trifkovic, Milana
    University of Calgary, Calgary, Canada.
    Shimizu, George K. H.
    University of Calgary, Calgary, Canada.
    Mechanical Properties of a Metal−Organic Framework formed by Covalent Cross-Linking of Metal−Organic Polyhedra2019In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 141, no 2, p. 1045-1053Article in journal (Refereed)
    Abstract [en]

    Overcoming the brittleness of metal-organic frameworks (MOFs) is a challenge for industrial applications. To increase the mechanical strength, MOFs have been blended with polymers to form composites. However, this also brings challenges, such as integration and integrity of MOF in the composite, which can hamper the selectivity of gas separations. In this report, an "all MOF" material with mechanical flexibility has been prepared by covalent cross-linking of metal-organic polyhedra (MOPs). The ubiquitous Cu 24 isophthalate MOP has been decorated with a long alkyl chain having terminal alkene functionalities so that MOPs can be cross-linked via olefin metathesis using Grubbs second generation catalyst. Different degrees of cross-linked MOP materials have been obtained by varying the amount of catalyst in the reaction. Rheology of these structures with varying number of cross-links was performed to assess the cross-link density and its homogeneity throughout the sample. The mechanical properties were further investigated by the nanoindentation method, which showed increasing hardness with higher cross-link density. Thus, this strategy of cross-linking MOPs with covalent flexible units allows us to create MOFs of increasing mechanical strength while retaining the MOP cavities.

  • 3.
    Larsson, Anna-Carin
    et al.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Ivanov, Alexander V.
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Forsling, Willis
    Antzutkin, Oleg
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Sustainable Process Engineering.
    Abraham, Anu
    Georgetown University.
    Dios, Angel de
    Georgetown University.
    Correlations between 31P Chemical Shift Anisotropy and Molecular Structure in Polycrystalline O,O'-Dialkyldithiophosphate Zinc(II) and Nickel(II) Complexes: 31P CP/MAS NMR and Ab Initio Quantum Mechanical Calculation Studies2005In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 127, no 7, p. 2218-2230Article in journal (Refereed)
    Abstract [en]

    Different potassium salts and zinc(II) and nickel(II) O,O'-dialkyldithiophosphate complexes were studied by solid-state 31P CP/MAS and static NMR and ab initio quantum mechanical calculations. Spectra were obtained at different spinning frequencies, and the intensities of the spinning sidebands were used to estimate the chemical shift anisotropy parameters. Useful correlations between the shapes of the 31P chemical shift tensor and the type of ligand were found: terminal ligands have negative values of the skew , while bridging and ionic ligands have positive values for this parameter. The experimental results were compared with known X-ray diffraction structures for some of these complexes as well as with ab initio quantum mechanical calculations, and a useful correlation between the δ22 component of the 31P chemical shift tensor and the S-P-S bond angle in the O,O'-dialkyldithiophoshate zinc(II) and nickel(II) complexes was found: δ22 increases more than 50 ppm with the increase of S-P-S bond angle from ca. 100 to 120, while the other two principal values of the tensor, δ11 and δ33, are almost conserved. This eventually leads to the change in sign for in the bridging type of ligand, which generally has a larger S-P-S bond angle than the terminally bound O,O'-dialkyldithiophoshate group forming chelating four-membered P<>Me heterocycles

  • 4.
    Melchor, Santiago
    et al.
    Departamento Quimica Organica, Campus Fuentenueva, Universidad de Granada.
    Dobado, J.A.
    Departamento Quimica Organica, Campus Fuentenueva, Universidad de Granada.
    Larsson, Andreas
    Greer, James C.
    NMRC, University College, Lee Maltings, Cork.
    Bonding of atomic phosphorus to polycyclic hydrocarbons and curved graphitic surfaces2003In: Journal of the American Chemical Society, ISSN 0002-7863, E-ISSN 1520-5126, Vol. 125, no 8, p. 2301-2306Article in journal (Refereed)
    Abstract [en]

    We present a theoretical study of the bonding of atomic phosphorus to planar hydrocarbons and to curved graphite-like surfaces. We find that bonding of phosphorus to planar polycyclic hydrocarbons induces curvature away from the phosphorus atom, as defined by the pyramidalization angle. Similarly, bonding of atomic phosphorus to the [5,5] fulvalene-circulene semifullerene and buckminsterfullerene is only possible on the convex side of the carbon surface. On the other hand, we find the interaction of atomic phosphorus with the concave side of fullerene-like surfaces to be nonbonding for both quartet and doublet spin states. We find the prerequisite for stable epoxy-type bonds within these systems is the ability of the carbon atoms to maintain or induce curvature away from the P···C=C bond.

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