Oxygen-17 NMR

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Isotope Spin Natural
Quadrupole moment
NMR frequency (MHz)
at a field of 2.3488T
O-17 5/2 0.037 -2.558 2.91E-2 1.08E-5 13.557 D2O
. . . . . . . .

Directory of solid-state O-17 NMR references
Small Molecule
Crystalline Powder
Hydroxide, Micro-Porous, Oxide, Silicate
Amorphous Powder

Solid-state oxygen NMR references

  1. V. K. Michaelis, E. Markhasin, E. Daviso, J. Herzfeld, and R. G. Griffin
    Dynamic nuclear polarization of oxygen-17,
    J. Phys. Chem. Lett. 3, 2030-2034 (2012).
  2. Daniel L. Pechkis, Eric J. Walter, and Henry Krakauer
    First-principles calculations of 17O nuclear magnetic resonance chemical shielding in Pb(Zr1/2Ti1/2)O3 and Pb(Mg1/3Nb2/3)O3: Linear dependence on transition-metal/oxygen bond lengths,
    J. Chem. Phys. 135, 114507/1-114507/9 (2011).
  3. K. Yamada
    Recent applications of solid-state 17O NMR,
    Annu. Rep. Nucl. Magn. Reson. Spectrosc. 70, 115-158 (2010).
  4. Ioannis P. Gerothanassis
    Oxygen-17 NMR spectroscopy: Basic principles and applications (part II),
    Prog. Nucl. Magn. Reson. Spectrosc. 57, 1-110 (2010).
  5. Daniel L. Pechkis, Eric J. Walter, and Henry Krakauer
    High sensitivity of 17O NMR to p-d hybridization in transition metal perovskites: First principles calculations of large anisotropic chemical shielding,
    J. Chem. Phys. 131, 184511/1-184511/9 (2009).
  6. C. A. Klug, S. Kroeker, P. M. Aguiar, M. Zhou, D. Stec, and I. E. Wachs
    Insights into oxygen exchange between gaseous O2 and supported vanadium oxide catalysts via 17O NMR,
    Chem. Mater. 21, 4127-4134 (2009).
  7. Sharon E. Ashbrook
    Recent advances in solid-state NMR spectroscopy of quadrupolar nuclei,
    Phys. Chem. Chem. Phys. 11, 6892-6905 (2009).
  8. F. Angeli, T. Charpentier, M. Gaillard, and P. Jollivet
    Influence of zirconium on the structure of pristine and leached soda-lime borosilicate glasses: Towards a quantitative approach by 17O MQMAS NMR,
    J. Non-Cryst. Solids 354, 3713-3722 (2008).
  9. F. Vasconcelos, S. Cristol, J.-F. Paul, G. Tricot, J.-P. Amoureux, L. Montagne, F. Mauri, and L. Delevoye
    17O solid-state NMR and first-principles calculations of sodium trimetaphosphate (Na3P3O9), tripolyphosphate (Na5P3O10), and pyrophosphate (Na4P2O7),
    Inorg. Chem. 47, 7327-7337 (2008).
  10. L. Peng, H. Huo, Z. Gan, and C. P. Grey
    17O MQMAS NMR studies of zeolite HY,
    Microporous Mesoporous Mater. 109, 156-162 (2008).
  11. A. Soleilhavoup, M. R. Hampson, S. J. Clark, J. S. O. Evans, and P. Hodgkinson
    Using 17O solid-state NMR and first principles calculation to characterise structure and dynamics in inorganic framework materials,
    Magn. Reson. Chem. 45, S144-S155 (2008).
  12. A. Wong, I. Hung, A. P. Howes, T. Anupold, J. Past, A. Samoson, S. P. Brown, M. E. Smith, and R. Dupree
    The determination of 17O NMR parameters of hydroxyl oxygen: A combined deuteration and DOR approach,
    Magn. Reson. Chem. 45, S68-S72 (2008).
  13. G. Wu, P. Mason, X. Mo, and V. Terskikh
    Experimental and computational characterization of the 17O quadrupole coupling and magnetic shielding NMR tensors for p-nitrobenzaldehyde and formaldehyde,
    J. Phys. Chem. A 112, 1024-1032 (2008).
  14. Gang Wu
    Solid-state 17O NMR studies of organic and biological molecules,
    Prog. Nucl. Magn. Reson. Spectrosc. 52, 118-169 (2008).
  15. L. Peng and J. F. Stebbins
    High resolution 17O MAS and triple-quantum MAS NMR studies of gallosilicate glasses,
    J. Non-Cryst. Solids 354, 3120-3128 (2007).
  16. L. Peng and J. F. Stebbins
    Sodium germanate glasses and crystals: NMR constraints on variation in structure with composition,
    J. Non-Cryst. Solids 353, 4732-4742 (2007).
  17. L.-S. Du, L. Peng, and J. F. Stebbins
    Germanosilicate and alkali germanosilicate glass structure: New insights from high-resolution oxygen-17 NMR,
    J. Non-Cryst. Solids 353, 2910-2918 (2007).
  18. I. Hung, A. Wong, A. P. Howes, T. Anupold, J. Past, A. Samoson, X. Mo, G. Wu, M. E. Smith, S. P. Brown, and R. Dupree
    Determination of NMR interaction parameters from double rotation NMR,
    J. Magn. Reson. 188, 246-259 (2007).
  19. A. Flambard, L. Montagne, L. Delevoye, and S. Steuernagel
    93Nb and 17O NMR chemical shifts of niobiophosphate compounds,
    Solid State NMR 32, 34-43 (2007).
  20. F. H. Larsen, S. Rossano, and I. Farnan
    Order and disorder in titanosilicate glass by 17O MAS, off-MAS, and 3Q-QCPMG-MAS solid-state NMR,
    J. Phys. Chem. B 111, 8014-8019 (2007).
  21. S. E. Ashbrook, L. Le-Polles, C. J. Pickard, A. J. Berry, S. Wimperis, and I. Farnan
    First-principles calculations of solid-state 17O and 29Si NMR spectra of Mg2SiO4 polymorphs,
    Phys. Chem. Chem. Phys. 9, 1587-1598 (2007).
  22. I. C. M. Kwan, X. Mo, and G. Wu
    Probing hydrogen bonding and ion-carbonyl interactions by solid-state 17O NMR spectroscopy: G-ribbon and G-quartet,
    J. Am. Chem. Soc. 129, 2398-2407 (2007).
  23. L. Peng, H. Huo, Y. Liu, and C. P. Grey
    17O magic angle spinning NMR studies of Bronsted acid sites in zeolites HY and HZSM-5,
    J. Am. Chem. Soc. 129, 335-346 (2007).
  24. T. Gullion, K. Yamauchi, M. Okonogi, and T. Asakura
    13C-17O REAPDOR NMR as a tool for determining secondary structure in polyamides,
    Macromolecules 40, 1363-1365 (2007).
    terry.gullion@mail.wvu.edu; asakura@cc.tuat.ac
  25. T. H. Sefzik, J. B. Houseknecht, T. M. Clark, S. Prasad, T. L. Lowary, Z. Gan, and P. J. Grandinetti
    Solid-state 17O NMR in carbohydrates,
    Chem. Phys. Lett. 434, 312-315 (2007).
  26. K. Yamada, H. Honda, T. Yamazaki, M. Yoshida
    Solid-state 17O NMR study of the electric-field-gradient and chemical shielding tensors in polycrystalline gamma-glycine,
    Solid State NMR 30, 162-170 (2006).
  27. T. Viefhaus and K. Müller
    Solid-state 17O NMR studies on Yttria-stabilized zirconia,
    Int. J. Mat. Res. 97, 508-512 (2006).
  28. T. Viefhaus, T. Bolse, and K. Müller
    Oxygen ion dynamics in yttria-stabilized zirconia as evaluated by solid-state 17O NMR spectroscopy,
    Solid State Ionics 177, 3063-3068 (2006).
  29. L. van-Wüllen, N. Sofina, L. Hildebrandt, C. Muhle, and M. Jansen
    NMR studies of cation transport in the crystalline ion conductors MCF3SO3 (M = Li, Na) and Li7TaO6,
    Solid State Ionics 177, 1665-1672 (2006).
    wullen@uni-muenster.de; m.jansen@fkf.mpg.de
  30. A. Trokiner, A. Yakubovskii, S. Verkhovskii, A. Gerashenko, D. Khomskii
    17O NMR as a conclusive probe of charge-ordering models in half-doped manganites,
    Phys. Rev. B 74, 92403/1-92403/4 (2006).
  31. S. K. Lee and J. F. Stebbins
    Disorder and the extent of polymerization in calcium silicate and aluminosilicate glasses: 17O NMR results and quantum chemical molecular orbital calculations,
    Geochim. Cosmochim. Acta 70, 4275-4286 (2006).
  32. P. Hodgkinson and M. R. Hampson
    Quantitative analysis of 17O exchange and T1 relaxation data: Application to zirconium tungstate,
    Solid State NMR 30, 98-105 (2006).
  33. S. K. Lee and B. H. Lee
    Atomistic origin of germanate anomaly in GeO2 and Na-germanate glasses: Insights from two-dimensional 17O NMR and quantum chemical calculations,
    J. Phys. Chem. B 110, 16408-16412 (2006).
  34. D. Prochnow, A. R. Grimmer, and D. Freude
    Solid-state NMR studies of 17O-enriched pyrophosphates,
    Solid State NMR 30, 69-74 (2006).
  35. A. Brinkmann and A. P. M. Kentgens
    Sensitivity enhancement and heteronuclear distance measurements in biological 17O solid-state NMR,
    J. Phys. Chem. B 110, 16089-16101 (2006).
  36. A. Flambard, L. Montagne, and L. Delevoye
    A new 17O-isotopic enrichment method for the NMR characterisation of phosphate compounds,
    Chem. Commun. 3426-3428 (2006).
  37. S. E. Ashbrook and M. E. Smith
    Solid state 17O NMR - an introduction to the background principles and applications to inorganic materials,
    Chem. Soc. Rev. 35, 718-735 (2006).
  38. L. S. Du and J. F. Stebbins
    Oxygen sites and network coordination in sodium germanate glasses and crystals: High-resolution oxygen-17 and sodium-23 NMR,
    J. Phys. Chem. B 110, 12427-12437 (2006).
  39. A. Wong, A. P. Howes, K. J. Pike, V. Lemaître, A. Watts, T. Anupöld, J. Past, A. Samoson, R. Dupree, and M. E. Smith
    New limits for solid-state 17O NMR spectroscopy: Complete resolution of multiple oxygen sites in a simple biomolecule,
    J. Am. Chem. Soc. 128, 7744-7745 (2006).
    r.dupree@warwick.ac.uk; m.e.smith.1@warwick.ac.uk
  40. S. K. Lee, G. D. Cody, Y. W. Fei, and B. O. Mysen
    The effect of Na/Si on the structure of sodium silicate and aluminosilicate glasses quenched from melts at high pressure: A multi-nuclear (Al-27, Na-23, O-17) 1D and 2D solid-state NMR study,
    Chem. Geol. 229, 162-172 (2006).
  41. B. H. Chen and Y. N. Huang
    17O solid-state NMR spectroscopic studies of the involvement of water vapor in molecular sieve formation by dry-gel conversion,
    J. Am. Chem. Soc. 128, 6437-6446 (2006).
  42. J. D. van-Beek, R. Dupree, and M. H. Levitt
    Symmetry-based recoupling of 17O-1H spin pairs in magic-angle spinning NMR,
    J. Magn. Reson. 179, 38-48 (2006).
  43. A. P. Howes, T. Anupöld, V. Lemaitre, A. Kukol, A. Watts, A. Samoson, M. E. Smith, and R. Dupree
    Enhancing resolution and sensitivity of 17O solid-state NMR through combining double rotation, 1H decoupling and satellite modulation for biomolecular applications,
    Chem. Phys. Lett. 421, 42-46 (2006).
  44. S. Prasad, T. M. Clark, R. Sharma, H. T. Kwak, P. J. Grandinetti, and H. Zimmermann
    A combined 17O RAPT and MQ-MAS NMR study of L-leucine,
    Solid State NMR 29, 119-124 (2006).
  45. M. R. Hampson, J. S. O. Evans, and P. Hodgkinson
    Characterization of oxygen dynamics in ZrW2O8,
    J. Am. Chem. Soc. 127, 15175-15181 (2005).
    john.evans@durham.ac.uk; paul.hodgkinson@durham.ac.uk
  46. E. K. Yildirim and R. Dupree
    Study of the relationship between structure and O-17 electric field gradient parameters in some aluminosilicates,
    Mod. Phys. Lett. B 19, 1213-1221 (2005).
  47. S. E. Ashbrook and S. Wimperis
    Rotor-synchronized acquisition of quadrupolar satellite-transition NMR spectra: practical aspects and double-quantum filtration,
    J. Magn. Reson. 177, 44-55 (2005).
  48. A. Trokiner, S. Verkhovskii, A. Yakubovskii, K. Kumagai, S. W. Cheong, D. Khomskii, Y. Furukawa, J. S. Ahn, A. Pogudin, V. Ogloblichev, A. Gerashenko, K. Mikhalev, and Yu. Piskunov
    Charge-ordered state in half-doped Bi-based manganites studied by 17O and 209Bi NMR,
    Phys. Rev. B 72, 54442/1-54442/9 (2005).
  49. J.-P. Amoureux, A. Flambard, L. Delevoye, and L. Montagne
    A very sensitive high-resolution NMR method for quadrupolar nuclei: SPAM-DQF-STMAS,
    Chem. Commun.3472-3474 (2005).
  50. J.-P. Amoureux, L. Delevoye, G. Fink, F. Taulelle, A. Flambard, and L. Montagne
    Implementing SPAM into STMAS: a net sensitivity improvement in high-resolution NMR of quadrupolar nuclei,
    J. Magn. Reson. 175, 285-299 (2005).
  51. J. Emery, D. Massiot, P. Lacorre, Y. Laligant, and K. Conder
    17O NMR in room temperature phase of La2Mo2O9 fast oxide ionic conductor,
    Magn. Reson. Chem. 43, 366-371 (2005).
  52. H. Kimura, S. Kanesaka, S. Kuroki, I. Ando, A. Asano, and H. Kurosu
    Structural characterization of poly(diethylsiloxane) in the crystalline, liquid crystalline and isotropic phases by solid-state 17O NMR spectroscopy and ab initio MO calculations,
    Magn. Reson. Chem. 43, 209-216 (2005).
  53. M. Zeyer-Dusterer, L. Montagne, G. Palavit, and C. Jager
    Combined 17O NMR and 11B-31P double resonance NMR studies of sodium borophosphate glasses,
    Solid State NMR 27, 50-64 (2005).
    lionel.montagne@univ-lille1.fr; christian.jaeger@bam.de
  54. L. S. Du and J. F. Stebbins
    Site connectivities in sodium aluminoborate glasses: multinuclear and multiple quantum NMR results,
    Solid State NMR 27, 37-49 (2005).
  55. L. Peng, Y. Liu, N. Kim, J. E. Readman, and C. P. Grey
    Detection of Brønsted acid sites in zeolite HY with high-field 17O-MAS-NMR techniques,
    Nature Mater. 4, 216-219 (2005).
  56. Jennifer E. Readman, Clare P. Grey, Martine Ziliox, Lucy M. Bull, and Ago Samoson
    Comparison of the 17O NMR spectra of zeolites LTA and LSX,
    Solid-State NMR 26, 153-159 (2004).
  57. Burkhard C. Schmidt, Fabrice Gaillard, and Mark E. Smith
    Characterisation of 17O-enriched alumina from a new hydrothermal preparation,
    Solid-State NMR 26, 197-202 (2004).
  58. V. Lemaître, M. E. Smith, and A. Watts
    A review of oxygen-17 solid-state NMR of organic materials-towards biological applications,
    Solid-State NMR 26, 215-235 (2004).
  59. K. J. Pike, V. Lemaitre, A. Kukol, T. Anupold, A. Samoson, A. P. Howes, A. Watts, M. E. Smith, and R. Dupree
    Solid-state 17O NMR of amino acids,
    J. Phys. Chem. B 108, 9256-9263 (2004).
    R.Dupree@warwick.ac.uk; M.E.Smith.1@warwick.ac.uk
  60. D. M. Pickup, F. E. Sowrey, R. J. Newport, P. N. Gunawidjaja, K. O. Drake, and M. E. Smith
    The structure of TiO2-SiO2 sol-gel glasses from neutron diffraction with isotopic substitution of titanium and 17O and 49Ti solid-state NMR with isotopic enrichment,
    J. Phys. Chem. B 108, 10872-10880 (2004).
  61. M. Zeyer, L. Montagne, and C. Jaeger
    Measuring oxygen-phosphorus distances and the orientation of electric field gradient tensors using 17O-{31P} REDOR in phosphate glasses,
    Solid State NMR 23, 136-144 (2003).
    zeyer@ioq.uni-jena.de; lionel.montagne@univ-lille1.fr
  62. S. Sen and R. E. Youngman
    NMR study of Q-speciation and connectivity in K2O-SiO2 glasses with high silica content,
    J. Non-Cryst. Solids 331, 100-107 (2003).
  63. M. D. Glinchuk, A. N. Morozovskaya, A. M. Slipenyuk, and I. P. Bykov
    Peculiarities of the radiospectroscopy line shape in nanomaterials,
    Appl. Magn. Reson. 24, 333-342 (2003).
  64. S. K. Lee and J. F. Stebbins
    Nature of cation mixing and ordering in Na-Ca silicate glasses and melts,
    J. Phys. Chem. B 107, 3141-3148 (2003).
  65. S. K. Lee and J. F. Stebbins
    17O and 27Al MAS and 3QMAS NMR study of synthetic and natural layer silicates,
    Chem. Mater. 15, 2605-2613 (2003).
  66. David Rovnyak, Claudiu Filip, Boris Itin, Alan S. Stern, Gerhard Wagner, Robert G. Griffin, and Jeffrey C. Hoch
    Multiple-quantum magic-angle spinning spectroscopy using nonlinear sampling,
    J. Magn. Reson. 161, 43-55 (2003).
  67. P. K. Madhu, K. J. Pike, R. Dupree, M. H. Levitt, and M. E. Smith
    Modulation-aided signal enhancement in the magic angle spinning NMR of spin-5/2 nuclei,
    Chem. Phys. Lett. 367, 150-156 (2003).
    mhl@soton.ac.uk; m.e.smith.1@warwick.ac.uk
  68. Flemming H. Larsen and Ian Farnan
    29Si and 17O (Q)CPMG-MAS solid-state NMR experiments as an optimum approach for half-integer nuclei having long T1 relaxation times,
    Chem. Phys. Lett. 357, 403-408 (2002).
  69. D. L. Bryce, K. Eichele, and R. E. Wasylishen
    An 17O NMR and quantum chemical study of monoclinic and orthorhombic polymorphs of triphenylphosphine oxide,
    Inorg. Chem. 42, 5085-5096 (2003).
  70. R. E. Wasylishen and D. L. Bryce
    A revised experimental absolute magnetic shielding scale for oxygen,
    J. Chem. Phys. 117, 10061-10066 (2002).
  71. C. J. Fontenot, J. W. Wiench, G. L. Schrader, and M. Pruski
    17O MAS and 3QMAS NMR investigation of crystalline V2O5 and layered V2O5 nH2O gels,
    J. Am. Chem. Soc. 124, 8435-8444 (2002).
  72. G. Wu, S. Dong, R. Ida, and N. Reen
    A solid-state 17O nuclear magnetic resonance study of nucleic acid bases,
    J. Am. Chem. Soc. 124, 1768-1777 (2002).
  73. P. S. Neuhoff, P. Shao, and J. F. Stebbins
    Effect of extraframework species on 17O NMR chemical shifts in zeolite A,
    Microporous Mesoporous Mater. 55, 239-251 (2002).
  74. Namjun Kim and Clare P. Grey
    Probing oxygen motion in disordered anionic conductors with 17O and 51V MAS NMR spectroscopy,
    Science 297, 1317-1320 (2002).
  75. S. E. Ashbrook, S. Antonijevic, A. J. Berry, and S. Wimperis
    Motional broadening: an important distinction between multiple-quantum and satellite-transition MAS NMR of quadrupolar nuclei,
    Chem. Phys. Lett. 364, 634-642 (2002).
  76. S. E. Ashbrook, A. J. Berry, and S. Wimperis
    17O multiple-quantum MAS NMR study of pyroxenes,
    J. Phys. Chem. B 106, 773-778 (2002).

Related bibliography

  1. Raisa I. Maksimovskaya and Gennady M. Maksimov
    95Mo and 17O NMR studies of aqueous molybdate solutions,
    Inorg. Chem. 46, 3688-3695 (2007).


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