Titanium-47 and titanium-49 NMR

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Isotope Spin Natural
abundance (%)
Quadrupole moment
NMR frequency (MHz)
at a field of 2.3488T
Ti-47 5/2 7.28 30.2 2.09E-3 1.52E-4 -5.637 TiCl4
Ti-49 7/2 5.51 24.7 3.76E-3 2.07E-4 -5.638

Solid-state titanium NMR references

  1. Pedro B. Groszewicz
    NMR spectroscopy of electroceramics – Applications to lead-free perovskite oxides,
    Open Ceram. 5, 100083/1-100083/17 (2021).
    Open access
  2. Kent J. Griffith, Michael A. Hope, Philip J. Reeves, Mark Anayee, Yury Gogotsi, and Clare P. Grey
    Bulk and surface chemistry of the niobium MAX and MXene phases from multinuclear solid-state NMR spectroscopy,
    J. Am. Chem. Soc. 142, 18924-18935 (2020).
  3. Hiroki Nagashima, Julien Trébosc, Yoshihiro Kon, Kazuhiko Sato, Olivier Lafon, and Jean-Paul Amoureux
    Observation of low-γ quadrupolar nuclei by surface-enhanced NMR spectroscopy,
    J. Am. Chem. Soc. 142, 10659-10672 (2020).
  4. Bryan E. G. Lucier and Yining Huang
    Reviewing 47/49Ti solid-state NMR spectroscopy: from alloys and simple compounds to catalysts and porous materials,
    Annu. Rep. Nucl. Magn. Reson. Spectrosc. 88, 1-78 (2016).
  5. A. J. Rossini, I. Hung, and Robert W. Schurko
    Solid-state 47/49Ti NMR of titanocene chlorides,
    J. Phys. Chem. Lett. 1, 2989-2998 (2010).
  6. Jianfeng Zhu, Nick Trefiak, Tom K. Woo, and Yining Huang
    A 47/49Ti solid-state NMR study of layered titanium phosphates at ultrahigh magnetic field,
    J. Phys. Chem. C 113, 10029-10037 (2009).
  7. G. W. Wagner and B. Itin
    Comment on "27Al, 47Ti,49Ti, 31P, and 13C MAS NMR study of VX, GD, and HD reactions with nanosize Al2O3, conventional Al2O3 and TiO2, and aluminum and titanium metal",
    J. Phys. Chem. C 112, 9962-9962 (2008).
  8. G. W. Wagner, L. R. Procell, and S. Munavalli
    27Al, 47Ti, 49Ti, 31P, and 13C MAS NMR study of VX, GD, and HD reactions with nanosize Al2O3, conventional Al2O3 and TiO2, and aluminum and titanium metal,
    J. Phys. Chem. C 111, 17564-17569 (2007).
  9. F. H. Larsen, I. Farnan, and A. S. Lipton
    Separation of 47Ti and 49Ti solid-state NMR lineshapes by static QCPMG experiments at multiple fields,
    J. Magn. Reson. 178, 228-236 (2006).
  10. Boštjan Zalar, Andrija Lebar, Janez Seliger, Robert Blinc, Valentin V. Laguta, and Mitsuru Itoh
    NMR study of disorder in BaTiO3 and SrTiO3,
    Phys. Rev. B 71, 64107/1-64107/12 (2005).
  11. Thomas Bräuniger, P. K. Madhu, André Pampel, and Detlef Reichert
    Application of fast amplitude-modulated pulse trains for signal enhancement in static and magic-angle-spinning 47,49Ti-NMR spectra,
    Solid State Nucl. Magn. Reson. 26, 114-120 (2004).
  12. Christel Gervais, Delphine Veautier, Mark E. Smith, Florence Babonneau, Philippe Belleville, and Clément Sanchez
    Solid state 47,49Ti, 87Sr and 137Ba NMR characterisation of mixed barium/strontium titanate perovskites,
    Solid State Nucl. Magn. Reson. 26, 147-152 (2004).
  13. 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).
  14. T. J. Bastow and G. W. West
    Defects and hyperfine interactions in Ni-Y intermetallics (Y = Al, Ga, In, Ti) via 27Al, 47Ti, 61Ni, 69,67Ga and 115In nuclear resonance,
    J. Phys.: Condens. Matter 15, 8389-8406 (2003).
  15. T. Kiyama, S. Fujisawa, H. Saitoh, M. Itoh, K. Kodama, and M. Takigawa
    NMR study of orbital ordering in RTiO3 (R = Y, Gd, and La),
    Physica B 329, 733-735 (2003).
  16. T. Kiyama and M. Itoh
    Presence of 3d quadrupole moment in LaTiO3 studied by 47,49Ti NMR,
    Phys. Rev. Lett. 91, 167202/1-167202/4 (2003).
  17. S. Ganapathy, K. U. Gore, R. Kumar, and J.-P. Amoureux
    Multinuclear (27Al, 29Si, 47,49Ti) solid-state NMR of titanium substituted zeolite USY,
    Solid State Nucl. Magn. Reson. 24, 184-195 (2003).
  18. B. Zalar, V. V. Laguta, and R. Blinc
    NMR evidence for the coexistence of order-disorder and displacive components in barium titanate,
    Phys. Rev. Lett. 90, 37601/1-37601/4 (2003).
  19. D. Padro, V. Jennings, M. E. Smith, R. Hoppe, P. A. Thomas, and R. Dupree
    Variations of titanium interactions in solid state NMR-correlations to local structure,
    J. Phys. Chem. B 106, 13176-13185 (2002).
  20. D. Padro, A. P. Howes, M. E. Smith, and R. Dupree
    Determination of titanium NMR parameters of ATiO3 compounds: correlations with structure distorsion,
    Solid State Nucl. Magn. Reson. 15, 231-236 (2000).
  21. L. V. Dmitrieva, L. S. Vorotilova, I. S. Podkorytov, and M. E. Shelyapina
    A comparison of NMR spectral parameters of 47Ti and 49Ti nuclei in rutile and anatase,
    Phys. Solid State 41, 1097-1099 (1999).
  22. T. J. Bastow and H. J. Whitfield
    47,49Ti NMR: evolution of crystalline TiO2 from the gel state,
    Chem. Mater. 11, 3518-3520 (1999).
  23. T. J. Bastow, M. A. Gibson, and C. T. Forwood
    47,49Ti NMR: hyperfine interactions in oxides and metals,
    Solid State Nucl. Magn. Reson. 12, 201-209 (1998).
  24. A. Labouriau and W. L. Earl
    Titanium solid-state NMR in anatase, brookite and rutile,
    Chem. Phys. Lett. 270, 278-284 (1997).

Related bibliography

  1. Andrea Labouriau, Kevin C. Ott, Jon Rau, and William L. Earl
    Titanium-substituted zeolites and molecular sieves investigated by NMR,
    J. Phys. Chem. B 104, 5890-5896 (2000).
  2. R. Koch and T. Bruhn
    Theoretical 49Ti NMR chemical shifts,
    J. Mol. Model 12, 723-729 (2006).
  3. José C. Vites and Mary M. Lynam
    Titanium 1993,
    Coord. Chem. Rev. 146, 1-15 (1995).

More solid-state Ti-47/49 NMR references.

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