Interdisciplinary Nanoscience Center

Danish Center for Ultrahigh Field NMR Spectroscopy

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Publications

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Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. B. (2006). Evaluation of 27Al and 51V Electric Field Gradients and the Crystal Structure for Aluminum Orthovanadate (AlVO4) by Density Functional Theory Calculations. J. Phys. Chem. B., 110, 5975-5983.
Hove, A. R., Bildsøe, H. K., Skibsted, J. B., Brorson, M. & Jakobsen, H. J. (2006). Probing Crystal Structures and Transformation Reactions of Ammonium Molybdates by 14N MAS NMR Spectroscopy. Inorg. Chem., 45, 10873-10881.
Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2006). Refinement of Inorganic Structures by Coupling of Density Functional Theory Calculations with Quadrupolar Coupling Interaction Parameters from Solid-State NMR. Poster session presented at 1st EUROMAR Conference, York, United Kingdom.
Jakobsen, H. J., Hove, A. R., Bildsøe, H. K. & Skibsted, J. B. (2006). Satellite transitions in natural abundance solid-state 33S MAS NMR of alums - Sign change with zero-crossing of CQ in a variable temperature study. Journal of Magnetic Resonance, 179, 444-451.
Jakobsen, H. J., Hove, A. R., Hazell, R. G., Bildsøe, H. K. & Skibsted, J. B. (2006). Solid-state 14N MAS NMR of ammonium ions as a spy to structural insights for ammonium salts. Magn. Reson. Chem., 44, 348-356.
Skibsted, J. B., Andersen, M. D. & Jakobsen, H. J. (2006). Structural Investigations of Portland Cement Components, Hydration, and Effects of Admixtures by Solid-State NMR Spectroscopy. In 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany: 16th IBAUSIL - Internationale Baustofftagung, Weimar, Germany, 20. - 23. September 2006 (Vol. 1, pp. 297-312). Dorothea Rohrmann.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2005). Effects of T2-relaxation in MAS NMR spectra of the satellite transitions for quadrupolar nuclei: a 27Al MAS and single-crystal NMR study of alum KAl(SO4)2.12H2O. Journal of Magnetic Resonance, (173), 209-217.
Nielsen, M., Thomsen, A. H., Jensen, T. R., Jakobsen, H. J., Skibsted, J. & Gothelf, K. V. (2005). Formation and Structure of Conjugated Salen-Cross-Linked Polymers and Their Application in Asymmetric Heterogeneous Catalysis. Eur. J. Org. Chem., 342-347.
Hansen, M. R., Madsen, G. K. H., Jakobsen, H. J. & Skibsted, J. (2005). Refinement of Borate Structures from 11B MAS NMR Spectroscopy and Density Functional Theory Calculations of 11B Electric Field Gradients. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 109(9), 1989-1997.
Zhou, B., Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2005). Structure refinement of CsNO3(II) by coupling of 14N MAS NMR experiments with WIEN2k DFT calculations. Chemical Physics Letters, 402, 133-137.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2004). A solid-state 14N magic-angle spinning NMR study of some amino acids. Journal of Magnetic Resonance, 166, 262-272.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2004). Characterization of white Portland cement hydration and the C-S-H structure in the presence of sodium aluminate by 27Al and 29Si MAS NMR spectroscopy. Cement and Concrete Research, 34, 857-868.
Hansen, M. R., Vosegaard, T., Jakobsen, H. J. & Skibsted, J. (2004). 11B Chemical Shift Anisotropies in Borates from 11B MAS, MQMAS, and Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 108, 586-594.
Nielsen, U. G., Topsøe, N.-Y., Brorson, M., Skibsted, J. & Jakobsen, H. J. (2004). The Complete 51V MAS NMR Spectrum of Surface Vanadia Nanoparticles on Anatase (TiO2): Vanadia Surface Structure of a DeNOx Catalysts. Journal of the American Chemical Society, 126(15), 4926-4933.
Hansen, M. R., Jakobsen, H. J. & Skibsted, J. (2003). 29Si chemical shift anisotropies in calcium silicates from high-field 29Si MAS NMR spectroscopy. Inorg. Chem. 42, 2368-2377, 42, 2368-2377. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020647f.pdf
Skibsted, J., Rasmussen, S., Herfort, D. & Jakobsen, H. J. (2003). 29Si cross-polarization magic-angle spinning NMR spectroscopy - an efficient tool for quantification of thaumasite in cement-based materials. Cement and Concrete Composites, 25, 823-829. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-4979J9S-6-1X&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c&wc hp=dGLbVzz-zSkWz&_acct=C000034578&_version=1&_userid=642076&md5=71df6a362168e2cc4a3ae3d9a8c7702b&ie=f.pdf
Hauch, A., Bildsøe, H., Jakobsen, H. J. & Skibsted, J. (2003). 2H chemical shift anisotropies from high-field 2H MAS NMR spectroscopy. Journal of Magnetic Resonance, 165, 282-292. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6WJX-49W6PFP-2-4D&_cdi=6890&_orig=browse&_coverDate=12%2F31%2F2003&_sk=998349997&view=c&w chp=dGLbVlz-zSkWW&_acct=C000034578&_version=1&_userid=642076&md5=bce9dc96bf576f0f1c666a00590d7024&ie=f.pdf
Juel, I., Herfort, D., Gollop, R., Konnerup-Madsen, J., Jakobsen, H. J. & Skibsted, J. (2003). A thermodynamic model for predicting the stability of thaumasite. Cement and Concrete Composites, 25, 867-872. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TWF-49NVGWW-1-H&_cdi=5561&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999749991&view=c& wchp=dGLbVtb-zSkWb&_acct=C000034578&_version=1&_userid=642076&md5=77425a3e0e1a20826942ceed2924c3c8&ie=f.pdf
Skibsted, J., Andersen, M. D., Hansen, M. R. & Jakobsen, H. J. (2003). Characterization of Guest-Ions in Cement Minerals and the C-S-H Phase by solid-State NMR Spectroscopy. Poster session presented at Rocky Mountain Conference on Analytical Chemistry, Denver, Colorado, United States.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Determination of nitrogen chemical shift anisotropy from the second-order cross-term in 14N MAS NMR spectroscopy. Chemical Physics Letters, 377, 426-432. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6TFN-495VMSG-4-2T&_cdi=5231&_orig=browse&_coverDate=08%2F15%2F2003&_sk=996229996&view=c&w chp=dGLbVtb-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=c9bfe228a62531273aedb2446be7cb07&ie=f.pdf
Krøyer, H., Lindgreen, H., Jakobsen, H. J. & Skibsted, J. (2003). Hydration of Portland cement in the presence of clay minerals studied by 29Si and 27Al MAS NMR spectroscopy. Advances in Cement Research, 15, 103-112.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2003). Incorporation of aluminum in the calcium silicate hydrate (C-S-H) of hydrated Portland cements: A high-field 27Al and 29Si MAS NMR investigation. Inorg. Chem., 42, 2280-2287. http://pubs.acs.org/cgi-bin/article.cgi/inocaj/2003/42/i07/pdf/ic020607b.pdf
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2003). Small 51V chemical shift anisotropy for LaVO4 from MQMAS and MAS NMR spectroscopy. Solid. State. Nucl. Mag., 23, 107-115. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-482XGPC-1-24&_cdi=5285&_orig=browse&_coverDate=03%2F31%2F2003&_sk=999769998&view=c&w chp=dGLbVzb-zSkzV&_acct=C000034578&_version=1&_userid=642076&md5=ffb966e223f0e1c45cc61f8eac4024f2&ie=f.pdf
Giavani, T., Johannsen, K., Jacobsen, C. J. H., Blom, N., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2003). Unusual observation of nitrogen chemical shift anisotropies in tetraalkylammonium halides by 14N MAS NMR spectroscopy. Solid. State. Nucl. Mag., 24, 218-235. http://www.sciencedirect.com/science?_ob=MImg&_imagekey=B6THK-48PVK5B-1-1B&_cdi=5285&_orig=browse&_coverDate=12%2F31%2F2003&_sk=999759995&view=c&wc hp=dGLbVzz-zSkzS&_acct=C000034578&_version=1&_userid=642076&md5=3a535fe0a7f6b6ebbcc87a84a3d2c675&ie=f.pdf
Jakobsen, H. J., Bildsøe, H., Skibsted, J., Giavani, T., Fraissard, J. (Ed.) & Lapina, O. (Ed.) (2002). 14N MAS NMR Spectroscopy: An Instrumental Challenge and Informatory Technique. In Magnetic Resonance in Colloid and Interface Science (pp. 43-55). Kluwer Academic Publishers.
Giavani, T., Bildsøe, H., Skibsted, J. & Jakobsen, H. J. (2002). 14N MAS NMR spectroscopy and quadrupole coupling data in characterization of the IV <-> III phase transition in ammonium nitrate. Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, 106, 3026-3032.
Nielsen, U. G., Jakobsen, H. J., Skibsted, J., Fraissard, J. (Ed.) & Lapina, O. (Ed.) (2002). 51V MAS NMR Studies of Inorganic Vanadates with Very Small and Large Chemical Shift Anisotropies. In Magnetic Resonance in Colloid and Interface Science (pp. 597-602). Kluwer Academic Publishers.
Nielsen, U. G., Boisen, A., Brorson, M., Jacobsen, C. J. H., Jakobsen, H. J. & Skibsted, J. (2002). Aluminum Orthovanadate (AlVO4): Synthesis and Characterization by 27Al and 51V MAS and MQMAS NMR Spectroscopy. Inorganic Chemistry, 41, 6432-6439.
Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2002). Beta-VO2 - a V(IV) or mixed valence V(III)-V(V) oxide - studied by 51V MAS NMR spectroscopy. Chemical Physics Letters, 356, 73-78.
Andersen, M. D., Jakobsen, H. J. & Skibsted, J. (2002). Characterization of the alpha->beta phase transition in Friedels salt (Ca2Al(OH)6Cl.2H2O) by variable-temperature 27Al MAS NMR spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 106, 6676-6682.
Taasti, K. I., Christensen, A. N., Norby, P., Hanson, J. C., Lebech, B., Jakobsen, H. J. & Skibsted, J. (2002). Hydrothermal synthesis, single-crystal structure analysis, and solid-state NMR characterization of Zn2(OH)0.14(3)F0.86(3)(PO4). Journal of Solid State Chemistry, 164, 42-50.
Skibsted, J., Hall, C. & Jakobsen, H. J. (2002). Nuclear magnetic resonance spectroscopy and magnetic resonance imaging of cements and cement-based materials. In J. Bensted & P. B. (Eds.), Structure and Performance of Cements (2. ed., pp. 457-476). Spon press.
Jakobsen, H. J., Bildsøe, H., Skibsted, J. & Giavani, T. (2001). 14N MAS NMR Spectroscopy: The Nitrate Ion. Journal of the American Chemical Society, 123, 5098-5099.
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. B. (2001). 51V MAS NMR Investigation of 51V Quadrupole Coupling and Chemical Shift Anisotropy in Divalent Metal Pyrovanadates. J. Phys. Chem. B., 105, 420-429.
Nielsen, U. G., Jakobsen, H. J. & Skibsted, J. (2001). 59Co Chemical Shift Anisotropy and Quadrupole Coupling for K3Co(CN)6 from MQMAS NMR and MAS NMR Spectroscopy. Solid State Nuclear Magnetic Resonance, 20, 23-24.
Nielsen, U. G., Jakobsen, H. J., Skibsted, J. & Norby, P. (2001). Crystal structure of α-Mg2V2O7 from synchrotron X-ray powder diffraction and characterization by 51V MAS NMR spectroscopy. Chem. Soc. Dalton Trans., 3214-3218.
Jakobsen, H. J., Skibsted, J., Kristensen, M. & Zauner, D. A. (2001). Phosphorus-doped thin silica films characterized by magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Applied Physics, 89, 4134-4138.
Nielsen, U. G., Skibsted, J. & Jakobsen, H. J. (2001). Resolving multiple 27Al sites in AlVO4 by 27Al MAS NMR spectroscopy at 21.15 Tesla. Chemical Communications, 2690-2691.
Fyfe, C. A., Skibsted, J. & Schwieger, W. (2001). Solid-State NMR Characterization of the Mineral Searlesite and its Detection in Complex Synthesis Mixtures. Inorg. Chem., 40, 5906-5912.
Larsen, F. H., Skibsted, J. B., Jakobsen, H. J. & Nielsen, N. C. (2000). Solid-state QCPMG NMR of low-γ quadrupolar metal nuclei in natural abundance. Journal of the American Chemical Society, 122, 7080-7086.
Vosegaard, T., Skibsted, J. & Jakobsen, H. J. (1999). Characterization of Mo(CO)6 by 95Mo Single-Crystal NMR Spectroscopy. Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 103(45), 9144-9149. https://doi.org/10.1021/jp9922615
Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1999). Solid-state 87Rb NMR of RbVO3. A comparison of experiments for retrieving chemical shielding and quadrupole coupling tensorial interactions. Solid State Nuclear Magnetic Resonance, 14(3-4), 203-210. https://doi.org/10.1016/S0926-2040(99)00021-1
Vosegaard, T., Skibsted, J., Bildsøe, H. K. & Jakobsen, H. J. (1996). Quadrupole Coupling and Anisotropic Shielding from Single-Crystal NMR of the Central Transition for Quadrupolar Nuclei. 87Rb NMR of RbClO4 and Rb2SO4. Journal of Magnetic Resonance, 122(2), 111-119. https://doi.org/10.1006/jmra.1996.0186
Skibsted, J., Vosegaard, T., Bildsøe, H. & Jakobsen, H. J. (1996). 133Cs Chemical Shielding nisotropies and Quadrupole Couplings from Magic-Angle Spinning NMR of Cesium Salts. Journal of Physical Chemistry, 100(36), 14872-14881. https://doi.org/10.1021/jp9608741
Vosegaard, T., Skibsted, J., Bildsøe, H. & Jakobsen, H. J. (1995). Combined Effect of second-Order Quadrupole Coupling and Chemical Shielding Anisotropy on the Central Transition in MAS NMR of Quadrupolar Nuclei. 87Rb MAS NMR of RbClO4. Journal of Physical Chemistry, 99(27), 10731-10735. https://doi.org/10.1021/j100027a009

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Revised 17.04.2023
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Lise Refstrup Linnebjerg Pedersen