Advertisement

Quantum Mechanical Rate Processes in NMR Spectra

  • Sławomir SzymańskiEmail author
  • Piotr Bernatowicz
Chapter

Abstract

Molecular rate processes evidenced in NMR spectra in the form of line-shape effects are generally believed to be classical by their very nature. In recent twenty years both theoretical and experimental evidences of exceptions from this general rule have been reported. They involve methyl groups undergoing the rotational tunneling. This chapter gives an outline of the relevant theory and experimental confirmations thereof. On this background, temperature effects in the spectra of the metal polyhydride complexes are discussed.

References

  1. 1.
    S. Szymański, J. Chem. Phys. 111, 288 (1999)ADSCrossRefGoogle Scholar
  2. 2.
    A.C. Hewson, J. Phys. C 15, 3841 (1982) ; A.C. Hewson, J. Phys. C 15, 3855 (1982)Google Scholar
  3. 3.
    A. Würger, J. Phys.-Condens. Math., 1, 6901 (1989) ; A. Würger, Z. Phys. B. Condens. Math. 76, 65 (1989) ; A. Würger, A. Heidemanna, Z. Phys. B. Condens. Math. 80, 113 (1990)Google Scholar
  4. 4.
    A. Heuer, Z. Phys, B. Condens. Math. 88, 39 (1992)CrossRefGoogle Scholar
  5. 5.
    S. Szymański, J. Chem. Phys. 104, 8216 (1996); 106(E), 3430 (1997)Google Scholar
  6. 6.
    S. Nakajima, Prog. Theor. Phys. 20, 948 (1958)ADSCrossRefGoogle Scholar
  7. 7.
    R. Zwanzig, J. Chem. Phys. 33, 1338 (1960)ADSMathSciNetCrossRefGoogle Scholar
  8. 8.
    R. Meyer, R.R. Ernst, J. Chem. Phys. 93, 5518 (1990)ADSCrossRefGoogle Scholar
  9. 9.
    S. Szymański, J. Chem. Phys. 137, 034513 (2012)ADSCrossRefGoogle Scholar
  10. 10.
    G. Diezemann, J. Phys.-Condens. Math. 4, 9153 (1992)ADSCrossRefGoogle Scholar
  11. 11.
    J. Haupt, Z. Naturforsch, Pt. A A26, 1578 (1971)Google Scholar
  12. 12.
    P. Bernatowicz, A. Shkurenko, A. Osior, B. Kamieński, S. Szymański, Phys. Chem. Chem. Phys. 17, 28866 (2015)CrossRefGoogle Scholar
  13. 13.
    P. Bernatowicz, T. Ratajczyk, A. Shkurenko, B. Kamieński, S. Szymański, J. Phys. Chem. C 119, 3725 (2015)CrossRefGoogle Scholar
  14. 14.
    P. Gutsche, H. Schmitt, U. Haeberlen, T. Ratajczyk, S. Szymański, Chem. Phys. Chem. 7, 886 (2006)CrossRefGoogle Scholar
  15. 15.
    A. Osior, P. Kalicki, B. Kamieński, S. Szymański, P. Bernatowicz, A. Shkurenko, J. Chem. Phys. 146, 104504 (2017)ADSCrossRefGoogle Scholar
  16. 16.
    S. Szymański, Z. Olejniczak, A. Detken, U. Haeberlen, J. Magn. Reson. 148, 277 (2001)ADSCrossRefGoogle Scholar
  17. 17.
    A. Detken, P. Focke, H. Zimmermann, U. Haeberlen, Z. Olejniczak, Z.T. Lalowicz, Z. Naturforsch. A 50, 95 (1995)Google Scholar
  18. 18.
    P. Gutsche, M. Rinsdorf, H. Zimmermann, H. Schmitt, U. Haeberlen, Solid State Nucl. Magn. Reson. 25, 227 (2004)CrossRefGoogle Scholar
  19. 19.
    P. Bernatowicz, T. Ratajczyk, P. Kalicki, S. Szymański, Solid State Nucl. Magn. Reson. 59–60, 34 (2014)CrossRefGoogle Scholar
  20. 20.
    A. Detken, H. Zimmermann, J. Chem. Phys. 108, 5845 (1998)ADSCrossRefGoogle Scholar
  21. 21.
    A. Detken, H. Zimmermann, J. Chem. Phys. 109, 6791 (1998)ADSCrossRefGoogle Scholar
  22. 22.
    A. Birczyński, Z.T. Lalowicz, Z. Olejniczak, G. Stoch, B. Petelenz, Solid State Nucl. Magn. Reson. 28, 142 (2005)CrossRefGoogle Scholar
  23. 23.
    G. Stoch, E. Ylinen, M. Punkkinen, B. Petelenz, A. Birczyński, Solid State Nucl. Magn. Reson. 35, 180 (2009)CrossRefGoogle Scholar
  24. 24.
    T. Ratajczyk, S. Szymański, J. Chem. Phys. 123, 204509 (2005)ADSCrossRefGoogle Scholar
  25. 25.
    S.I. Nishikiori, T. Soma, T. Iwamoto, J. Incl. Phenom. Mol. 27, 233 (1997)CrossRefGoogle Scholar
  26. 26.
    S. Nishikiori, C.I. Ratcliffe, J.A. Ripmeester, J. Phys. Chem. 95, 1589 (1991)CrossRefGoogle Scholar
  27. 27.
    P. Bernatowicz, S. Szymański, Phys. Rev. Lett. 89, 023004 (2002)ADSCrossRefGoogle Scholar
  28. 28.
    P. Bernatowicz, I. Czerski, J. Jaźwiński, S. Szymański, J. Magn. Reson. 169, 284 (2004)ADSCrossRefGoogle Scholar
  29. 29.
    I. Czerski, S. Szymański, Pol. J. Chem. 80, 1233 (2006)Google Scholar
  30. 30.
    F. Wehrmann, T.P. Fong, R.H. Morris, H.-H. Limbach, G. Buntkowsky, Phys. Chem. Chem. Phys. 1, 4033 (1999)CrossRefGoogle Scholar
  31. 31.
    C. Scheurer, R. Wiedenbruch, R. Meyer, R.R. Ernst, D.M. Heinekey, J. Chem. Phys. 106, 1 (1997)ADSCrossRefGoogle Scholar
  32. 32.
    S. Camanyes, F. Maseras, M. Moreno, A. Lledos, J.M. Lluch. J. Bertran, J. Am. Chem. Soc., 118, 4617 (1996)CrossRefGoogle Scholar
  33. 33.
    D.M. Heinekey, A.S. Hinkle, J.D. Close, J.Am.Chem.Soc., 118, 5353 (1996)Google Scholar
  34. 34.
    H.-H. Limbach, G. Scherer, M. Maurer, B. Chaudret, Angew. Chem. 31, 1369 (1992)CrossRefGoogle Scholar
  35. 35.
    G. Buntkowsky, H.-H. Limbach, in Hydrogen-Transfer Reactions, vol. 2, ed. by J.T. Hynes, J.P. Klinman, H.-H. Limbach, R.L. Schowen (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2007), p. 639Google Scholar
  36. 36.
    H.-H. Limbach, in Hydrogen-Transfer Reactions, vol. 1, ed. by J.T. Hynes, J.P. Klinman, H.-H. Limbach, R.L. Schowen (Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, 2007), p. 135Google Scholar

Copyright information

© Springer International Publishing AG, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Institute of Organic ChemistryPolish Academy of SciencesWarsawPoland
  2. 2.Institute of Physical ChemistryPolish Academy of SciencesWarsawPoland

Personalised recommendations