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  • 1.
    Duncombe, Bridgette J
    et al.
    Department of Physical Chemistry, School of Chemistry, University of Nottingham.
    Ryden, Jens
    Department of Chemistry, University of Sussex, Falmer, Brighton.
    Puškar, Ljiljana
    Department of Chemistry, University of Sussex, Falmer, Brighton.
    Cox, Hazel L.
    Department of Chemistry, University of Sussex, Falmer, Brighton.
    Stance, Anthony J.
    Department of Physical Chemistry, School of Chemistry, University of Nottingham.
    A Gas-Phase Study of the Preferential Solvation of Mn2+ in Mixed Water/Methanol Clusters2008In: Journal of the American Society for Mass Spectrometry, ISSN 1044-0305, E-ISSN 1879-1123, Vol. 19, no 4, p. 520-530Article in journal (Refereed)
    Abstract [en]

    The kinetic shift that exists between two competing unimolecular fragmentation processes has been used to establish whether or not gas-phase Mn2+ exhibits preferential solvation when forming mixed clusters with water and methanol. Supported by molecular orbital calculations, these first results for a metal dication demonstrate that Mn2+ prefers to be solvated by methanol in the primary solvation shell.

  • 2.
    Ryden, Jens
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Proton transfer reactions for methanol and water containing manganese ion complexes2011In: Journal of the American Society for Mass Spectrometry, ISSN 1044-0305, E-ISSN 1879-1123, Vol. 22, no 12, p. 2276-2281Article in journal (Refereed)
    Abstract [en]

    Under considerations in the current study are reactions of the type [Mn(LOH) 2] 2+ → [Mn(LO)] + + LOH 2 +, where the ligand LOH represents water or/and methanol. Preferential proton transfer reactions and loss of any ligand fragments are discussed in the light of ligand polarizability, dipole moment, dissociation energy, proton affinity, differences in ligand-ion ionization energy, and ion radii. The results indicate the proton affinity and dissociation energy of the O-H bond are more important for the overall proton transfer reaction than differences in the first ionization energy of the ligand and the second ionization energy of the metal ion.

  • 3.
    Ryden, Jens
    et al.
    Department of Chemistry, University of Sussex.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Heggie, Malcolm
    Department of Chemistry, University of Sussex.
    Rayson, Mark
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Mathematical Science.
    Briddon, Patrick
    School of Electrical, Electronic and Computer Engineering, University of Newcastle upon Tyne.
    Hydrogen storage in the manganese containing metal-organic framework MOF-732013In: Microporous and Mesoporous Materials, ISSN 1387-1811, E-ISSN 1873-3093, Vol. 165, no 1, p. 205-209Article in journal (Refereed)
    Abstract [en]

    Calculations have been performed to investigate the possibility for hydrogen adsorption in the manganese containing metal-organic framework MOF-73. A supercell of 348 atoms in total were employed and the computer code Aimpro with the LDA functional PW92 was used to relax the different structures in the study. The results clearly show that MOF-73 is a suitable candidate for hydrogen storage since the coordination/binding energy for a hydrogen molecule to the MOF structure falls in the range of a few tens of kJmol-1.

  • 4.
    Zhu, Chuantao
    et al.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Dobryden, Illia
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Ryden, Jens
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Öberg, Sven
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Holmgren, Allan
    Luleå University of Technology, Department of Civil, Environmental and Natural Resources Engineering, Chemical Engineering.
    Mathew, Aji P.
    Luleå University of Technology, Department of Engineering Sciences and Mathematics, Material Science.
    Adsorption Behavior of Cellulose and Its Derivatives toward Ag(I) in Aqueous Medium: An AFM, Spectroscopic, and DFT Study2015In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 31, no 45, p. 12390-12400Article in journal (Refereed)
    Abstract [en]

    The aim of this study was to develop a fundamental understanding of the adsorption behavior of metal ions on cellulose surfaces using experimental techniques supported by computational modeling, taking Ag(I) as an example. Force interactions among three types of cellulose microspheres (native cellulose and its derivatives with sulfate and phosphate groups) and the silica surface in AgNO3 solution were studied with atomic force microscopy (AFM) using the colloidal probe technique. The adhesion force between phosphate cellulose microspheres (PCM) and the silica surface in the aqueous AgNO3 medium increased significantly with increasing pH while the adhesion force slightly decreased for sulfate cellulose microspheres (SCM), and no clear adhesion force was observed for native cellulose microspheres (CM). The stronger adhesion enhancement for the PCM system is mainly attributed to the electrostatic attraction between Ag(I) and the negative silica surface. The observed force trends were in good agreement with the measured zeta potentials. The scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), and attenuated total reflectance-Fourier transform infrared spectroscopy (ATR-FTIR) analyses confirmed the presence of silver on the surface of cellulose microspheres after adsorption. This study showed that PCM with a high content of phosphate groups exhibited a larger amount of adsorbed Ag(I) than CM and SCM and possible clustering of Ag(I) to nanoparticles. The presence of the phosphate group and a wavenumber shift of the P−OH vibration caused by the adsorption of silver ions on the phosphate groups were further confirmed with computational studies using density functional theory (DFT), which gives support to the above findings regarding the adsorption and clustering of Ag(I) on the cellulose surface decorated with phosphate groups as well as IR spectra.

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