Skip to main content

The Chemical Shift

  • Chapter
Multinuclear NMR

Abstract

The chemical shift (as defined by IUPAC) in terms of measured frequencies

$$ \delta = \left( {\nu - \nu _{{\text{ref}}} } \right){\text{/}}\nu _{{\text{ref}}} $$
(1)

is related to a fundamental molecular property, the nuclear magnetic shielding, σ. For a molecule held in a fixed orientation in a uniform magnetic field B, the field at a selected point in the vicinity of the molecule is different from B because of the small field arising from the circulations of the electrons induced by the magnetic field*:

$$ B_{{\text{local}}} {\text{ = }}\left( {1 - \sigma } \right)B $$
(2)

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 129.00
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 169.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Lamb, W. Phys. Rev. 1941, 60, 817–819.

    CAS  Google Scholar 

  2. Van Vleck, J. H. Electric and Magnetic Susceptibilities, Oxford University Press: London, 1932; p. 275.

    Google Scholar 

  3. Ramsey, N. F. Phys. Rev. 1950, 77, 567; 78, 699–703; 1951, 83, 540–541; 1952, 86, 243–246.

    CAS  Google Scholar 

  4. Lipscomb, W. N. International Review of Science, Phys. Chem. Ser. One, Buckingham, A. D., Ed.; Butterworths: London, 1972; Vol. 1, pp. 167–196.

    Google Scholar 

  5. Malli, G.; Froese, C. Int. J. Quantum Chem., Suppl., 1967, 1, 95–98.

    Google Scholar 

  6. Kolb, D.; Johnson, W. R.; Shorer, P. Phys. Rev. A 1982, 26, 19–31.

    CAS  Google Scholar 

  7. Flygare, W. H. J. Chem. Phys. 1964, 41, 793–800; Chem. Rev. 1974, 74, 653–687.

    Google Scholar 

  8. Flygare, W. H.; Goodisman, J. J. Chem. Phys. 1968, 49, 3122–3125; Gierke, T. D.; Tigelaar, H. L.; Flygare, W. H. J. Am. Chem. Soc. 1972, 94, 330–338; Gierke, T. D.; Flygare, W. H. J. Am. Chem. Soc. 1972, 94, 7277–7283.

    CAS  Google Scholar 

  9. Abragam, A. The Principles of Nuclear Magnetism, Oxford University Press: Oxford, 1961; p. 480 (also 1978 corrected reprint).

    Google Scholar 

  10. Mislow, K.; Raban, M. Top. Stereochem. 1967, 1, 1–38.

    CAS  Google Scholar 

  11. Buckingham, A. D.; Malm, S. M. Mol. Phys. 1971, 22, 1127–1130; Buckingham, A.D.; Pople, J. A. Trans. Faraday Soc. 1963, 59, 2421–2430.

    CAS  Google Scholar 

  12. Raynes, W. T. NMR, Spec. Per. Rep. C. S. 1978, 7, 1–25.

    CAS  Google Scholar 

  13. Griffith, J. S. The Theory of Transition Metal Ions, Cambridge University Press: Cambridge, 1961; Section 12.5; Griffith, J. S.; Orgel, L. E. Trans. Faraday. Soc. 1957, 53, 601–606.

    Google Scholar 

  14. Buckingham, A. D.; Stephens, P. J. J. Chem. Soc. A 1964, 2747–2759, 4583–4587.

    Google Scholar 

  15. Beeler, A. J.; Orendt, A. M.; Grant, D. M.; Cutts, P. W.; Michl, J.; Zilm, K. W.; Downing, J.W.; Facelli, J. C.; Schindler, M. S.; Kutzelnigg, W. J. Am. Chem. Soc. 1984, 106, 7672–7676.

    CAS  Google Scholar 

  16. Cornwell, C. D. J. Chem. Phys. 1966, 44, 874–880; Davis, R. E.; Muenter, J. S. J. Chem. Phys. 1967, 57, 2836–2888.

    CAS  Google Scholar 

  17. Mason, J. Adv. Inorg. Chem. Radiochem. 1976, 18, 197–228; 1979, 22, 199–237.

    CAS  Google Scholar 

  18. Phillips, W. D.; Cooke, W. E.; Kleppner, D. Phys. Rev. Lett. 1975, 35, 1619–1622;

    CAS  Google Scholar 

  19. Myint, T.; Kleppner, D.; Ramsey, N. F.; Robinson, H. G. Phys. Rev. Lett. 1966, 17, 405–407; Winkler, P. F.; Kleppner, D.; Myint, T.; Walther, F. G. Phys. Rev. A 1972, 5, 83–114.

    CAS  Google Scholar 

  20. Sahm, W.; Schwenk, A. Z. Naturforsch. A. 1974, 29, 1763–1766.

    CAS  Google Scholar 

  21. Smaller, B. Phys. Rev. 1951, 83, 812–820.

    CAS  Google Scholar 

  22. Landolt-Börnstein, Zahlenwerte und Funktionen aus Naturwissenschaften und Technik, Neue Serie, Group II; Springer-Verlag: Berlin, 1974; Vol. 6, pp. 2–383–2–434.

    Google Scholar 

  23. Appleman, B. R.; Dailey, B. P. Adv. Magn. Reson. 1974, 7, 231–320.

    CAS  Google Scholar 

  24. NMR Spec. Per. Rep. C.S. (or R.S.C.) 1972–. The first chapter of every volume is an annual review of nuclear magnetic shielding, especially theoretical and physical aspects.

    Google Scholar 

  25. Jameson, C. J.; Jameson, A. K.; Burrell, P. M. J. Chem. Phys. 1980, 73, 6013–6020; Jameson, C. J.; Jameson, A. K.; Oppusunggu, D.; Wille, S.; Burrell, P. M.; Mason, J. J. Chem. Phys. 1981, 74, 81–88.

    CAS  Google Scholar 

  26. Beckman, A.; Boklen, K. D.; Elke, D. Z. Phys. 1974, 270, 173–186.

    Google Scholar 

  27. Lutz, O. Z. Naturforsch. A 1968, 23, 1202–1209.

    CAS  Google Scholar 

  28. Huber, R.; König, F.; Weber, H. G. Z. Phys. A 1977, 281, 25–33.

    CAS  Google Scholar 

  29. Sahm, W.; Schwenk, A. Z. Naturforsch. A 1974, 29, 1754–1762.

    CAS  Google Scholar 

  30. Huber, R.; Knapp, M.; König, F.; Reinhard, H.; Weber, H. G. Z. Phys. A 1980, 296, 95–99.

    CAS  Google Scholar 

  31. White, C. W.; Hughes, W. M.; Hayne, G. S.; Robinson, H. G. Phys. Rev. 1968, 174, 23–32; 1973, 7, 1178–1182.

    CAS  Google Scholar 

  32. Lutz, O. Phys. Lett. A 1967, 25, 440–441; Lutz, O.; Nolle, A. Z. Naturforsch 1972, 27, 1577–1581.

    CAS  Google Scholar 

  33. Spence, P. W.; McDermott, M. N. Phys. Lett. A 1967, 24, 430–431.

    CAS  Google Scholar 

  34. Epperlein, B. W.; Kruger, H.; Lutz, O.; Schwenk, A. Phys. Lett. A 1973, 45, 255–256.

    CAS  Google Scholar 

  35. Fowler, T. R. UCRL-18331, 1968, cited in Ref. 35.

    Google Scholar 

  36. Kodweiss, J.; Lutz, O.; Messner, W.; Mohn, K. R.; Nolle, A.; Stutz, B.; Zepf, D. J. Magn. Reson. 1981, 43, 495–498.

    CAS  Google Scholar 

  37. Leduc, M.; Brossel, J.; Lehmann, J. C. C. R. Acad. Sci. Paris Ser. B 1966, 263, 740–743.

    Google Scholar 

  38. Kruger, H.; Lutz, O.; Schwenk, A.; Strieker, G. Z. Phys. A 1974, 266, 233–237.

    Google Scholar 

  39. Cagnac, B. Ann. Phys. (Paris) 1961, 6, 467–526.

    CAS  Google Scholar 

  40. Kruger, H Lutz, O.; Nolle, A.; Schwenk, A. Z. Phys. A 1975, 273, 325–330.

    Google Scholar 

  41. Gibbs, H. M.; White, C. W. Phys. Rev. 1969, 188, 180–187.

    Google Scholar 

  42. Lutz, O.; Strieker, G. Phys. Lett. A 1971, 35, 397–398.

    CAS  Google Scholar 

  43. Gauss, W.; Gunther, S.; Haase, A. R.; Kerber, M.; Kessler, D.; Kronenbitter, J.; Kruger, H.; Lutz, O.; Nolle, A.; Schrade, P.; Schule, M.; Siegloch, G. E. Z. Naturforsch A 1978, 33, 934–939.

    Google Scholar 

  44. Neumann, D. B.; Moskowitz, J. W. J. Chem. Phys. 1969, 50, 2216–2236; Ozier, I.; Crapo, L. M.; Ramsey, N. F. J. Chem. Phys. 1968, 49, 2314–2321.

    CAS  Google Scholar 

  45. Mason, J. J. Chem. Soc., Perkin Trans. 2 1976, 1671–1674.

    Google Scholar 

  46. Jameson, C. J. NMR Spec. Per. Rep. R.S.C. 1981, 11, 1–17.

    Google Scholar 

  47. Flygare, W. H.; Weiss, V. W. J. Chem. Phys. 1966, 45, 2785–2792; Garvey, R. M.; DeLucia, F. C. J. Mol. Spectrosc. 1974, 50, 38–44.

    PubMed  CAS  Google Scholar 

  48. Morin, F. G.; Solum, M. S.; Withers, J. D.; Grant, D. M.; Dalling, D. K. J. Magn. Reson. 1982, 48, 138–142.

    CAS  Google Scholar 

  49. Kukolich, S. G. J. Am. Chem. Soc. 1975, 97, 5704–5707.

    CAS  Google Scholar 

  50. Reinartz, J. M. L. J.; Meerts, W. L.; Dymanus, A. Chem. Phys. 1978, 31, 19–29; Casleton, K. H.; Kukolich, S. G. J. Chem Phys. 1975, 62, 2696–2699; Chan, S. I.; Baker, M. R.; Ramsey, N. F. Phys Rev. A. 1964, 136, 1224–1228; Baker, M. R.; Anderson, C. H.; Ramsey, N. F. Phys. Rev. A. 1964, 133, 1533–1536.

    CAS  Google Scholar 

  51. Frerking, M. A.; Langer, W. D. J. Chem. Phys. 1981, 74, 6990; Garber, A. R.; Ellis, P.D.; Scidman, K.; Schade, K. J. Magn. Reson. 1979, 34, 1–30.

    CAS  Google Scholar 

  52. Wasylishen, R. E.; Mooibroek, S.; Macdonald, J. B. J. Chem. Phys. 1984, 81, 1057–1059.

    CAS  Google Scholar 

  53. Baker, M. R.; Nelson, H. M.; Leavitt, J. A.; Ramsey, N. F. Phys. Rev. 1961, 121, 807–815.

    CAS  Google Scholar 

  54. Hinderman, D. K.; Cornwell, C. D. J. Chem. Phys. 1968, 48, 4148–4154.

    Google Scholar 

  55. Mason, J. J. Chem. Soc., Dalton Trans. 1975, 1426–1431.

    Google Scholar 

  56. Fabricant, B.; Muenter, J. S. J. Chem. Phys. 1977, 66, 5274–5277; Ozier, I.; Yi, P. N.; Ramsey, N. F. Phys. Rev. 1977, 66, 143–146; Casleton, K. H.; Gierke, T. D.; Wang, J. H. S.; Kukolich, S. G. J. Chem. Phys. 1976, 64, 471–476; Muenter, J. S.; Klemperer, W. J. Chem. Phys. 1970, 52, 6033–6037; Davis, R. E.; Muenter, J. S. J. Chem. Phys. 1967, 57, 2836–2838; Weiss, V. M.; Todd, H. D.; Lo, M. K.; Gutowsky, H. S.; Flygare, W. H. Chem. Phys. 1967, 47, 4021–4029.

    CAS  Google Scholar 

  57. Davies, P. B.; Neumann, R. M.; Wofsy, S. C.; Klemperer, W. J. Chem. Phys. 1971, 55, 3564–3568.

    CAS  Google Scholar 

  58. Reinartz, J. M. L. J.; Dymanus, A. Chem. Phys. Lett. 1974, 24, 346–351.

    CAS  Google Scholar 

  59. Wasylishen, R. E.; Connor, C.; Friedrich, J. O. Can. J. Chem. 1984, 62, 981–985.

    CAS  Google Scholar 

  60. Fyfe, C. A. in Solid State NMR for Chemists, C.F.C. Press: Guelph, Ontario, Canada, 1983.

    Google Scholar 

  61. Waugh, J. S.; Huber, L. M.; Haeberlen, U. Phys. Rev. Lett. 1968, 20, 180–182.

    CAS  Google Scholar 

  62. Mehring, M. NMR Basic Princ. Prog. 1976, 11, 1–243;

    Google Scholar 

  63. Haeberlen, U. Adv. Magn. Reson. 1976, Suppl. 1, 1–186.

    Google Scholar 

  64. Pines, A.; Gibby, M. G.; Waugh, J. S. J. Chem. Phys. 1972, 56, 1776–1777.

    CAS  Google Scholar 

  65. Robert, J. B.; Wiesenfeld, L. Mol. Phys. 1981, 44, 319–327.

    CAS  Google Scholar 

  66. Zilm, K. W.; Conlin, R. T.; Grant, D. M.; Michl, J. J. Am. Chem. Soc. 1978, 100, 8038–8039; Zilm, K. W.; Beeler, A. J.; Grant, D. M.; Michl, J.; Chou, T.-C.; Allred, E. L. J. Am. Chem. Soc. 1981, 103, 2119–2120; Zilm, K. W.; Grant, D. M. J. Am. Chem. Soc103. 1981, 103, 2913–2922; Zilm, K. W.; Conlin, R. T.; Grant, D. M.; Michl, J. J. Am. Chem. Soc. 1980, 102, 6672–6676.

    CAS  Google Scholar 

  67. Garg, S. K.; Ripmeester, J. A.; Davidson, D. W. J. Magn. Reson. 1980, 39, 317–323; J. Magn. Reson. 1979, 35, 145–156; J. Magn. Reson. 1979, 36, 325–331.

    CAS  Google Scholar 

  68. Lippmaa, E.; Alia, M.; Tuherm, T. Proc. 19th Congress Ampere, Heidelberg, 1976, 113–118; Stejskal, E. O.; Schaefer, J.; McKay, R. A. J. Magn. Reson. 1977, 25, 569; Herzfeld, J.; Berger, A. E. J. Chem. Phys. 1980, 73J. Chem. Phys, 6021–6030; Maricq, M. M.; Waugh, J. S. J. Chem. PhysJ. Chem. Phys. 1979, 70, 3300–3316.

    Google Scholar 

  69. Saupe, A. Z. Naturforsch. A 1964, 19Z. Naturforsch. A, 161–171; Saupe, A.; Englert, G. Phys. Rev. Lett. 1963, 11Phys. Rev. Lett, 462–464; Diehl, P.; Khetrapal, C. L. NMR Basic Princ. Prog. 1969, 1NMR Basic Princ. Prog, 1–95; Khetrapal, C. L.; Kunwar, A. C. Adv. Liq. CrystNMR Basic Princ. Prog. 1983, 6, 173–242.

    Google Scholar 

  70. Fujiwara, F. Y.; Reeves, L. W. Mol. Phys. 1978, 36, 1897–1900; Persson, N.-O.; Lindblom, G. J. Phys. Chem. 1979, 83J. Phys. Chem, 3015–3019; Soderman, O.; Khan, A.; Lindblom, G. J. Magn. Reson. 1979, 36, 141–146.

    CAS  Google Scholar 

  71. Pople, J. A. J. Chem. Phys. 1962, 37, 53–59; Ditchfield, R. J. Chem. Phys. 1972, 36, 5688–5691.

    Google Scholar 

  72. Schindler, M.; Kutzelnigg, W. J. Chem. Phys. 1982, 76, 1919–1933; Schindler, M.; Kutzelnigg, W. J. Am. Chem. Soc. 1983, 105, 1360–1370;Mol. Phys. 1983, 48, 781–798.

    CAS  Google Scholar 

  73. Barfield, M.; Grant, D. M. J. Chem. Phys. 1977, 67, 3322–3329.

    CAS  Google Scholar 

  74. Lipscomb, W. N. Adv. Magn. Reson. 1966, 2, 137–176.

    CAS  Google Scholar 

  75. Pople, J. A.; Mclver, J. W. Jr.; Ostlund, N. S. J. Chem. Phys. 1968, 49, 2960–2964; Ditchfield, R.; Miller, D. P.; Pople, J. A. J. Chem. Phys. 1970, 53, 613–619; Rohlfing, C. M.; Allen, L. C; Ditchfield, R. Chem. Phys. 1984, 87, 9; Chesnut, D. B.; Foley, C. K. J. Chem. Phys. 1986, 84, 852–861.

    CAS  Google Scholar 

  76. Rowe, D. J. Rev. Mod. Phys. 1968, 40, 153–166; Lamanna, U.T.; Guidoti,C.; Arrighini, G. P. J. Chem. Phys. 1977, 67, 604–4610; Hansen, A. E.; Bouman, T. D. J. Chem. Phys. 1985, 82, 5035–5047.

    Google Scholar 

  77. Daborn, G. T.; Handy, N. C. Chem. Phys. Lett. 1981, 81, 201–208; Daborn, G. T.; Ferguson, W. I.; Handy, N. C. Chem. Phys. 1980, 50Chem. Phys, 255–263.

    Google Scholar 

  78. Amos, R. D. Mol. Phys. 1978, 35, 1765–1775; 1980, 39, 1–14; Pyper, N. C.; Edwards, P. P. J. Am. Chem. Soc. 1986, 108, 78–81.

    CAS  Google Scholar 

  79. Freier, D. G.; Fenske, R. F.; You, X.-Z. J. Chem. Phys. 1985, 83, 3526–3537.

    CAS  Google Scholar 

  80. Schastnev, P. V.; Cheremisin, A. A. Zh. Strukt. Khim. 1982, 23, 139–170 (English transl. p. 440–472).

    CAS  Google Scholar 

  81. Höller, R.; Lischka, H. Mol. Phys. 1980, 41, 1017–1040; 1041–1050.

    Google Scholar 

  82. Kaiser, W. J. Chem. Phys. 1970, 53, 1686–1703; de Leeuw, F. H.; Dymanus, A. J. Mol. Spectrosc. 1973, 48, 427.

    Google Scholar 

  83. Ishol, L. M.; Scott, T. A. J. Magn. Reson. 1977, 27, 23–28.

    CAS  Google Scholar 

  84. O’Reilley, D. E.; Peterson, E. M.; El Saffar, Z. M.; Scheie, C. E. Chem. Phys. Lett. 1971, 8, 470–472.

    Google Scholar 

  85. Zumbulyadis, N.; Dailey, B. P. Mol. Phys. 1974, 27, 633–640.

    CAS  Google Scholar 

  86. Hegstrom, R. A. Phys. Rev. A 1979, 19, 17–30.

    CAS  Google Scholar 

  87. Pyper, N. C. Chem. Phys. Lett. 1983, 96, 211–217; 204–210; Pyykkö, P. Chem. Phys. 1983, 74, 1–7.

    CAS  Google Scholar 

  88. Morishima, I.; Endo, K.; Yonezawa, T. J. Chem. Phys. 1973, 59, 3356–3364; Volodicheva, M. I.; Rebane, T. K. Theor. Exp. Chem. (English Transl.) 1978, 14, 447–4155; Cheremisin, A. A.; Schastnev, P. V. J. Magn. Reson. 1980, 40, 459–468.

    CAS  Google Scholar 

  89. Fano, U.; Martin, W. C. Top. Modern Phys. 1971, 147–152.

    Google Scholar 

  90. Barnes, R. G.; Smith, W. V. Phys. Rev. 1954, 93, 95–98.

    CAS  Google Scholar 

  91. Dunn, T. M. Trans. Faraday Soc. 1961, 57, 1441–1444.

    CAS  Google Scholar 

  92. Watson, R. E.; Freeman, A. J. Hyperflne Interactions, Freeman, A. J.; Frankel, R. B., Ed.; Academic Press: New York, 1967; pp. 53–94.

    Google Scholar 

  93. Jameson, C. J.; Gutowsky, H. S. J. Chem. Phys. 1964, 40, 1714–1724.

    CAS  Google Scholar 

  94. Schneider, W. G.; Buckingham, A. D. Discuss. Faraday Soc. 1962, 34, 147–155.

    Google Scholar 

  95. Karplus, M.; Das, T. P. J. Chem. Phys. 1961, 34, 1683–1692.

    CAS  Google Scholar 

  96. Letcher, J. H.; Van Wazer, J. R. Top. Phosphorus Chem. 1967, 5, 75–167.

    CAS  Google Scholar 

  97. Karplus, M.; Pople, J. A. J. Chem. Phys. 1963, 38, 2803–2807; Kolker, H. J.; Karplus, M. J. Chem. Phys. 1963, 39, 2011–2016.

    CAS  Google Scholar 

  98. Pople, J. A. Mol. Phys. 1964, 7, 301–306.

    CAS  Google Scholar 

  99. McConnell, H. M. J. Chem. Phys. 1957, 27, 226–234.

    CAS  Google Scholar 

  100. Haigh, C. W.; Mallion, R. B. Prog. NMR Spectrosc. 1979, 13, 303–344; Mallion, R. B. J. Chem. Phys. 1981, 75, 793–797.

    Google Scholar 

  101. Buckingham, A. D.; Schaefer, T.; Schneider, W. G. J. Chem. Phys. 1960, 32, 1227–1233.

    CAS  Google Scholar 

  102. Kempf, J.; Spiess, H. W.; Haeberlen, U.; Zimmerman, H. Chem. Phys. 1974, 4, 269–276.

    CAS  Google Scholar 

  103. Mason, J. Chem. Rev., in press.

    Google Scholar 

  104. Moore, C. E. “Atomic Energy Levels,” National Bureau of Standards Circular No. 467, Vols. 1–3, revised 1971.

    Google Scholar 

  105. Carlson, T. A.; Lu, C. C.; Tucker, T. C.; Nestor, C. W.; Malik, F. B. “Eigenvalues, Radial Expectation Values, and Potentials for Free Atoms from Z = 2 to 126 as calculated from Relativistic Hartree-Fock-Slater Atomic Wave Functions,” Oak Ridge National Laboratory, 1970, pp. 1–29.

    Google Scholar 

  106. Pyykkö, P.; Desclaux, J.-P. Acc. Chem. Res. 1979, 12, 276–281; Pitzer, K. S. Acc. Chem. Res. 1979, 12, 271–276.

    Google Scholar 

  107. Büttgenbach, S. Hyperfine Structure in 4d- and 5d-Shell Atoms, Springer-Verlag: Berlin, 1982.

    Google Scholar 

  108. Tokuhiro, T.; Fraenkel, G. J. Am. Chem. Soc. 1969, 91, 5005–5013.

    CAS  Google Scholar 

  109. Grieves, R. A.; Mason, J. Polyhedron, 1986, 5, 415–421, and work to be published;

    Google Scholar 

  110. b) Green, J. C.; Grieves, R. A.; Mason, J. J. Chem. Soc., Dalton Trans. 1986, 1313–1316.

    Google Scholar 

  111. Andrew, E. R. Phil. Trans. R. Soc. London Ser. A 1981, 299, 505–520.

    CAS  Google Scholar 

  112. Farnum, D. G. Adv. Phys. Org. Chem. 1975, 11, 123–175; Nelson, G. L.; Williams, E. A. Prog. Phys. Org. Chem. 1976, 12, 229–342; Martin, G. J.; Martin, M. L.; Odiot, S. Org. Magn. Reson. 1975, 7, 2–17.

    CAS  Google Scholar 

  113. Ewing, D. F. In Correlation Analysis in Chemistry: Recent Advances, Chapman, N. B.; Shorter, J., Eds.; Plenum: New York, 1978, pp. 357–396; Org. Magn. Reson. 1979, 12, 499–523.

    Google Scholar 

  114. Spiesecke, H.; Schneider, W. G. Tetrahedron Lett. 1961, 468–472.

    Google Scholar 

  115. Olah, G. A.; Mateescu, G. D. J. Am. Chem. Soc. 1970, 92, 1430–1432.

    CAS  Google Scholar 

  116. Memory, J. D.; Wilson, N. K. NMR of Aromatic Compounds, Wiley: New York, 1982.

    Google Scholar 

  117. Griffith, R. C.; Grant, D. M.; Roberts, J. C. J. Org. Chem. 1975, 40, 3726–3729.

    CAS  Google Scholar 

  118. Hehre, W. J.; Taft, R. W.; Topsom, R. D. Prog. Phys. Org. Chem. 1976, 12, 159–187.

    CAS  Google Scholar 

  119. Fliszar, S.; Cardinal, G.; Beraldin, M. T. J. Am. Chem. Soc. 1982, 104, 5287–5292.

    CAS  Google Scholar 

  120. Stothers, J. B. 13C NMR Spectroscopy, Academic Press: New York, 1972; Levy, G. C.; Lichter, R. L.; Nelson, G. L. 13C NMR Spectroscopy, Wiley: New York, 1980.

    Google Scholar 

  121. Craik, D. J.; Levy, G. C; Brownlee, R. T. C. J. Org. Chem. 1983, 48, 1601–1606.

    CAS  Google Scholar 

  122. Strub, H.; Beeler, A. J.; Grant, D. M.; Michl, J.; Cutts, P. W.; Zilm, K. W. J. Am. Chem. Soc. 1983, 105, 3333–3334.

    CAS  Google Scholar 

  123. Pople, J. A.; Schneider, W. G.; Bernstein, H. J. High-Resolution NMR, McGraw-Hill: New York, 1959.

    Google Scholar 

  124. Gutowsky, H. S.; Hoffman, C. J. J. Chem. Phys. 1951, 19, 1259–1267.

    CAS  Google Scholar 

  125. Mason, J. J. Chem. Soc., Dalton, Trans. 1975, 1422–1426 and refs. therein.

    Google Scholar 

  126. Mason, J. Chem. Rev. 1981, 81, 205–227.

    CAS  Google Scholar 

  127. Figgis, B. N.; Kidd, R. G.; Nyholm, R. S. Proc. R. Soc. London, Ser. A 1962, 269, 469–480; Jung, W.-S.; Tomiyasu, H.; Fukutomi, H. Bull. Chem. Soc. Jpn. 1985, 58, 938–942, and refs. therein.

    Google Scholar 

  128. De Jeu, W. H. Mol. Phys. 1970, 18, 31–37; St. Amour, T. E.; Burgar, M. I.; Valentine, B.; Fiat, D. J. Am. Chem. Soc. 1981, 103, 1128–1136.

    Google Scholar 

  129. Mason, J. J. Chem. Soc., Faraday Trans 2. 1982, 78, 1539–1549.

    CAS  Google Scholar 

  130. Sugawara, R.; Kawada, Y.; Katoh, M.; Iwamura, H. Bull. Chem. Soc. Jpn. 1979, 52, 3391–3396.

    CAS  Google Scholar 

  131. Fujiwara, S.; Yajima, F.; Yamasaki, A. J. Magn. Reson. 1969, 1, 203–210; Juranic, N.; Celap, M. B.; Vucelic, D.; Malinar, M. H.; Radivojsa, P. N. J. Magn. Reson. 1979, 35, 319–327.

    CAS  Google Scholar 

  132. Orgel, L. E. J. Chem. Soc. 1958, 4186–4190; Mol. Phys. 1958, 1, 322–325.

    CAS  Google Scholar 

  133. Koie, Y.; Shinoda, S.; Saito, Y. J. Chem. Soc., Dalton Trans. 1981, 1082–1088.

    Google Scholar 

  134. Bönnemann, H.; Brijoux, W.; Brinkmann, R.; Meurers, W.; Mynott, R. J. Organomet. Chem. 1984, 272, 231.

    Google Scholar 

  135. Jørgensen, C. K. Absorption Spectra and Chemical Bonding, Pergamon: Oxford, 1962; Jørgensen, C. K. Modern Aspects of Ligand Field Theory, North-Holland: Amsterdam, 1971.

    Google Scholar 

  136. Phillips, C. S. G.; Williams, R. J. P. Inorganic Chemistry, Oxford University Press: Oxford, 1965.

    Google Scholar 

  137. Kidd, R. G. Annu. Rep. NMR Spectrosc. 1980, 10A, 1–79; Kidd, R. G.; Goodfellow, R. J. in NMR and the Periodic Table, Harris, R. K.; Mann, B. E., Eds. Academic Press: London, 1978; chap. 8, 195–278.

    CAS  Google Scholar 

  138. Dechter, J. J. Prog. Inorg. Chem. 1985, 33, 393–507; Rehder, D. Magn. Reson. Rev. 1984, 9, 125–237.

    CAS  Google Scholar 

  139. Laszlo, P. (chapter 9); Mann, B. E. (chapter 11) in NMR of Newly Accessible Nuclei, Laszlo, P., Ed.; Academic Press: New York, 1983, vol. 2.

    Google Scholar 

  140. Andersson, L.-O.; Mason, J.; van Bronswijk, W; J. Chem. Soc. A 1970, 296–299.

    Google Scholar 

  141. Christ, H. A.; Diehl, P.; Schneider, R.-H., Dahn, H. Helv. Chim. Acta 1961, 44, 865–880.

    CAS  Google Scholar 

  142. Kanda, K.; Nakatsuji, H.; Yonezawa, T. J. Am. Chem. Soc. 1984, 106, 5888–5892.

    CAS  Google Scholar 

  143. Nakatsuji, H.; Kanda, K.; Endo, K.; Yonezawa, T. J. Am. Chem. Soc. 1984, 106, 4653–4660.

    CAS  Google Scholar 

  144. Martin, R. L.; White, A. H. Nature 1969, 223, 394–396; Weiss, R.; Verkade, J. G. Inorg. Chem. 1979, 18, 529–530.

    CAS  Google Scholar 

  145. Goggin, P. L.; Goodfellow, R. J.; Haddock, S. R.; Taylor, B. F.; Marshall, I. R. H. J. Chem. Soc. Dalton Trans. 1976, 459–467; Pidcock, A.; Richards, R. E.; Venanzi, L. M. J. Chem. Soc. A 1968, 1970.

    Google Scholar 

  146. Bramley, R.; Brorson, M.; Sargeson, A. M.; Schäffer, C. E. J. Am. Chem. Soc. 1985, 107, 2780–2787.

    CAS  Google Scholar 

  147. Grant, D. M.; Paul, E. G. J. Am. Chem. Soc. 1964, 86, 2984–2990.

    CAS  Google Scholar 

  148. Vladimiroff, T.; Malinowski, E. R. J. Chem. Phys., 1967, 46, 1830–1841; Malinowski, E. R. J. Am. Chem. Soc. 1969, 91, 4701.

    CAS  Google Scholar 

  149. Schraml, J.; Bellama, J. M. Determination of Organic Structures by Physical Methods, Nachod, F. C.; Zuckerman, J. J.; Randall, E.W., Ed.; Academic Press: New York, 1976; Vol.6, pp. 203–269; Grimmer, A. R. Z. Anorg. Allg. Chem. 1973, 400, 105–114.

    Google Scholar 

  150. Ionov, S. P.; Lyubimov, V. S. Russ. J. Phys. Chem. 1980, 54, 5–12.

    Google Scholar 

  151. Lyubimov, V. S.; Ionov, S. P. Russ. J. Phys. Chem. 1972, 46, 486–489; 1755–1758.

    Google Scholar 

  152. Ionov, S. P.; Lyubimov, V. S. Russ. J. Phys. Chem. 1971, 45, 1407–1409.

    Google Scholar 

  153. Ando, I.; Asakura, T. Annu. Rep. NMR Spectrosc. 1980, 10A, 81–132.

    Google Scholar 

  154. Quin, L. D.; Mesch, K. A. J. Chem. Soc., Chem. Commun. 1980, 959.

    Google Scholar 

  155. Au-Yeung, S. C. F.; Eaton, D. R. J. Magn. Reson. 1983, 52, 351–365.

    CAS  Google Scholar 

  156. Akitt, J. W.; McDonald, W. S. J. Magn. Reson. 1984, 58, 401–412.

    CAS  Google Scholar 

  157. Yajima, F.; Koike, Y.; Yamasaki, A.; Fujiwara, S. Bull. Chem. Soc. Jpn. 1974, 47, 1442–1446.

    CAS  Google Scholar 

  158. Brown, D. A.; Chester, J. P.; Fitzpatrick, N. J. Inorg. Chem. 1982, 21, 2111–2112; 1977, 16, 2497–2500.

    CAS  Google Scholar 

  159. Beach, N. A.; Gray, H. B. J. Am. Chem. Soc. 1968, 90, 5713–5721.

    CAS  Google Scholar 

  160. Gleeson, J. W.; Vaughan, W. R. J. Chem. Phys. 1983, 78, 5385–5392; Oldfield, E.; Keniry, M. A.; Shinada, S.; Schramm, S.; Brown, T. L.; Gutowsky, H. S. J. Chem. Soc., Chem. Commun. 1985, 791–793.

    Google Scholar 

  161. Carroll, D. G.; McGlynn, S. P. Inorg. Chem. 1968, 7, 1285–1290;

    CAS  Google Scholar 

  162. Maricq, M. M.; Waugh, J. S.; Fletcher, J.L.; McGlinchey, M. J. J. Am. Chem. Soc. 1978, 100, 6902–6904.

    CAS  Google Scholar 

  163. Pitcher, E.; Buckingham, A. D.; Stone, F. G. A. J. Chem. Phys. 1962, 36, 124–129.

    CAS  Google Scholar 

  164. Semin, G. K.; Rabushkina, T. A.; Yakobson, G. G. Nuclear Quadrupole Resonance in Chemistry, Khimiya: Leningrad 1972; English translation, Halsted-Wiley: Chichester, 1975; Lucken, E. A. C. Nuclear Quadrupole Coupling Constants, Academic Press: New York, 1969.

    Google Scholar 

  165. Saito, Y. Can. J. Chem. 1965, 43, 2530–2534.

    CAS  Google Scholar 

  166. Slater, J. L.; Pupp, M.; Sheline, R. K. J. Chem. Phys. 1972, 57, 2105–2108 and refs. therein.

    CAS  Google Scholar 

  167. Onaka, S.; Sasaki, Y.; Sano, H. Bull. Chem. Soc. Jpn. 1971, 44, 726–730; Wuyts, L. F.; Van der Kelen, G. P. J. Mol. Struct. 1974, 23, 73–79.

    CAS  Google Scholar 

  168. Mason, J. J. Chem. Soc., Faraday Trans. 2 1976, 72, 2064–2068.

    CAS  Google Scholar 

  169. Cotton, F. A.; Harris, C. B. Proc. Natl. Acad. Sci. U.S.A., 1966, 56, 12–15; Lucken, E. A. C. Fortschr. Chem. Forsch. 1972, 30, 156–171.

    PubMed  CAS  Google Scholar 

  170. Brown, T. L. Acc. Chem. Res. 1974, 7, 408–415.

    CAS  Google Scholar 

  171. Bancroft, G. M.; Clark, H. C.; Kidd, R. G.; Rake, A. T.; Spinney, G. C. Inorg. Chem. 1973, 12, 728–731.

    CAS  Google Scholar 

  172. Parish, R. V. Prog. Inorg. Chem. 1972, 15, 101–200; Bancroft, G. M.; Platt, R. H. Adv. Inorg. Chem. Radiochem. 1972, 15, 59–258.

    CAS  Google Scholar 

  173. Pople, J. A. Discuss. Faraday Soc. 1962, 34, 7–14; J. Chem. Phys. 1962, 37, 60–66.

    Google Scholar 

  174. Carrington, A. Mol. Phys. 1960, 3, 271–275; Jørgensen, C. K. Prog. Inorg. Chem. 1970, 12, 101–158.

    CAS  Google Scholar 

  175. Kazanskii, L. P.; Spitsyn, V. I. Dokl. Akad. Nauk. S.S.S.R. 1975, 223, 381–384 (721–724 in English).

    CAS  Google Scholar 

  176. Gillespie, R. J.; Schrobilgen, G. J. Inorg. Chem. 1974, 13, 765–770; 1455–1459; 2370–2374.

    CAS  Google Scholar 

  177. Reuben, J.; Shvo, Y.; Demiel, A. J. Am. Chem. Soc. 1965, 87, 3995–3996.

    CAS  Google Scholar 

  178. Johnson, K. J.; Hunt, J. P.; Dodgen, H. W. J. Chem. Phys. 1969, 51, 4493–4496.

    CAS  Google Scholar 

  179. Lassigne, C. R.; Wells, E. J. Can. J. Chem. 1977, 55, 927.

    CAS  Google Scholar 

  180. Doddrell, D. M.; Barron, P. F.; Clegg, D. E.; Bowie, C. J. Chem. Soc., Chem. Commun. 1982, 575–576.

    Google Scholar 

  181. Klemperer, W. G. Angew. Chem. Intl. Ed. 1978, 17, 246–254.

    Google Scholar 

  182. Grimmer, A.-R.; Radeglia, R. Chem. Phys. Lett. 1984, 106, 262–265; Grimmer, A.-R.; Von Lampe, F.; Lippmaa, E. Monatsh. Chem. 1984, 115, 561–564; Klinowski, J. Prog. NMR Spectrosc. 1984, 16, 237–309.

    CAS  Google Scholar 

  183. Grimmer, A.-R. Z. Chem. 1984, 24, 194–195; Lippmaa, E.; Samoson, A.; Mägi, M. J. Am. Chem. Soc. 1986, 108, 1730–1735; e.g., Garrou, P. Chem. Rev. 1981, 81, 229–266.

    CAS  Google Scholar 

  184. Mann, B. E.; Taylor, B. F. 13C NMR Data for Organometallic Compounds, Academic Press: London, 1981.

    Google Scholar 

  185. Brown, A. J.; Howarth, O. W.; Moore, P. J. Chem. Soc., Dalton Trans. 1976, 1589–1592.

    Google Scholar 

  186. Mann, B. E. J. Chem. Soc., Dalton Trans. 1973, 2012–2015; Braterman, P. S.; Milne, D. W.; Randall, E. W.; Rosenberg, E. J. Chem. Soc., Dalton Trans. 1973, 1027–1031.

    Google Scholar 

  187. LaMar, G. N.; Horrocks, W. DeW.; Holm, R. H., Eds.; NMR of Paramagnetic Molecules, Academic Press: New York, 1973.

    Google Scholar 

  188. Kohler, F. H.; Hofmann, P.; Prossdorf, W. J. Am. Chem. Soc. 1981, 103, 6359–6367.

    Google Scholar 

  189. Knight, W. D. Solid State Phys. 1956, 2, 93–136.

    CAS  Google Scholar 

  190. Grigor’ev, I. A.; Volodarsky, L. B.; Gogolev, A. Z.; Sagdeev, R. Z. Chem. Phys. Lett. 1985, 122, 46–50.

    Google Scholar 

  191. Kurland, R. J.; McGarvey, B. R. J. Magn. R.son. 1970, 2, 286; McGarvey, B. R. J. Chem. Phys. 1970, 53, 86–91.

    CAS  Google Scholar 

  192. Orrell, K. G . NMR Spec. Per. Rep. R.S.C. 1985, 4, 318–349; also 6, 8, 10, 12.

    Google Scholar 

  193. Jameson, C. J. Bull. Magn. Reson. 1980, 3, 3–28.

    CAS  Google Scholar 

  194. Rummens, F. H. A. NMR Basic Princ. Prog. 1975, 10, 1–118.

    Google Scholar 

  195. Raynes, W. T.; Buckingham, A. D.; Bernstein, H. J. J. Chem. Phys. 1962, 36, 3481–3488.

    CAS  Google Scholar 

  196. Homer, J. Appl. Spectrosc. Rev. 1975, 9, 1–132; Ando, I.; Webb, G. A. Org. Magn. Reson. 1981, 15, 111–130; Jallali-Heravi, M.; Lamphun, B. N.; Webb, G. A.; Ando, I.; Kondo, M.; Watanabe, S. Org. Magn. Reson. 1980, 14, 92–97; 116–118; Jallali-Heravi, M.; Webb, G. A. Org. Magn. Reson. 1980, 13Org. Magn. Reson, 116–118; Orville-Thomas, W. J.; Ratajczak, H.; Rao, C. N. R., Eds.; Top. Mol. Interactions, Elsevier: Amsterdam, 1985.

    CAS  Google Scholar 

  197. Pirkle, W. H.; Beare, S. D. J. Am. Chem. Soc. 1969, 91, 5150–5155.

    CAS  Google Scholar 

  198. Pirkle, W. H. J. Am. Chem. Soc. 1966, 88, 1837.

    CAS  Google Scholar 

  199. Dyllick-Brenzinger, R.; Roberts, J. D. J. Am. Chem. Soc. 1980, 102, 1166–1167.

    CAS  Google Scholar 

  200. Pirkle, W. H.; Hoover, D. J. Topics in Stereochemistry, Allinger, N. L., Eliel, E. L., Ed.; Interscience: New York, 1982; Vol. 13, pp. 263–331.

    Google Scholar 

  201. Ditchfield, R. Chem. Phys. 1981, 63, 185–202.

    CAS  Google Scholar 

  202. Fowler, P. W.; Raynes, W. T. Mol. Phys. 1981, 43, 65–82.

    CAS  Google Scholar 

  203. Altman, L. J.; Laungani, D.; Gunnarsson, G.; Wennerstrom, H.; Forsén, S. J. Am. Chem. Soc. 1978, 100, 8264–8266.

    CAS  Google Scholar 

  204. Jameson, C. J. J. Chem. Phys. 1977, 66, 4983–4988; Jameson, C. J.; Osten, H. J. J. Chem. Phys. 1984, 81, 4293–4299; 4300–4305; Ann. Rep. NMR Spectrosc. 1986, 17, 1–78.

    CAS  Google Scholar 

  205. Batiz-Hernandez, H.; Bernheim, R. A. Prog. NMR Spectrosc. 1967, 3, 63–85.

    CAS  Google Scholar 

  206. Aydin, R.; Günther, H. J. Am. Chem. Soc. 1981, 103, 1301–1303; Jurlina, J. L.; Stothers, J. B. J. Am. Chem. Soc. 1982, 104, 4611–4618.

    Google Scholar 

  207. Jameson, C. J. In Nuclear Magnetic Resonance, Webb, G. A., Ed.; Royal Society of Chemistry: London, 1980; Vol. 10, pp. 1–17.

    Google Scholar 

  208. Hansen, P. E. Annu Rep. NMR Spectrosc. 1983, 15, 105–233; Forsyth, D. A. Isotopes in Organic Chemistry, 1984, 6.

    CAS  Google Scholar 

  209. Saunders, M.; Kates, M. R. J. Am. Chem. Soc. 1977, 99, 8071–8072; Saunders, M.; Jaffe, M. H.; Vogel, P. J. Am. Chem. Soc. 1971, 93, 2558–2559; Saunders, M.; Vogel, P. Am. Chem. Soc. 1971, 93, 2559–2561, 2561–2562; Saunders, M.; Telkowski, L.; Kates, M. R. J. Am. Chem. Soc. 1977, 99, 8072–8073; Anet, F. A. L.; Basus, V. J.; Hewett, A. P. W.; Saunders, M. J. Am. Chem. Soc. 1980, 102, 3945–3946; Kuroda, Y.; Fujiwara, Y. J. Phys. Chem. 1982, 86, 4913–4918; Lycka, A.; Hansen, P. E. Org. Magn. Reson. 1985, 23, 973–6; 1984, 2223, 569–572; Mason, J.; Mingos, D. M. P.; Sherman, D.; Wardle, R. W. M. J. Chem. Soc., Chem. Commun. 1984, 1223.

    CAS  Google Scholar 

  210. Anet, F. A. L.; Dekmezian, A. H. J. Am. Chem. Soc. 1979, 101, 5449–5451.

    CAS  Google Scholar 

  211. Lindman, B.; Forsen, S. NMR Basic Princ. Prog. 1976, 12, 1–365.

    Google Scholar 

  212. Deverell, C.; Schaumburg, K.; Bernstein, H. J. J. Chem. Phys. 1968, 49, 1276–1283.

    CAS  Google Scholar 

  213. Epperlein, B. W.; Kruger, H.; Lutz, O.; Schwenk, A. Z Naturforsch. A 1974, 29, 660–661.

    CAS  Google Scholar 

  214. Lutz, O.; Oehler, H. Z. Naturforsch. A 1977, 32, 131–133; Raynes, W. T. Mol. Phys. 1983, 49, 443–447.

    Google Scholar 

  215. Stamm, H.; Lamberty, W.; Stafe, J. J. Am. Chem. Soc. 1980, 102, 1529–1532.

    CAS  Google Scholar 

  216. Harris, R. K.; Spragg, R. A. J. Chem. Soc., Chem. Commun. 1967, 362–363; Carter, R. E.; Brakenberg, T.; Bergman, N. A. J. Am. Chem. Soc. 1975, 97, 6990–6996; Lumbroso-Bader, N.; Coupry, C.; Baron, D.; Clague, D. H.; Govil, G. J. Magn. Reson. 1975, 17, 386–392; Pachler, K. G. R.; Wessels, P. L. J. Mol. Struct. 1980, 68, 145–159; Ross, B. D.; True, N. S.; Decker, D. L. J. Phys. Chem. 1983, 87J. Phys. Chem, 89–94, Ross, B. D.; True, N. S. J. Am. Chem. Soc. 1983, 105, 1382–1383.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 1987 Plenum Press, New York

About this chapter

Cite this chapter

Jameson, C.J., Mason, J. (1987). The Chemical Shift. In: Mason, J. (eds) Multinuclear NMR. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-1783-8_3

Download citation

  • DOI: https://doi.org/10.1007/978-1-4613-1783-8_3

  • Publisher Name: Springer, Boston, MA

  • Print ISBN: 978-1-4612-8999-9

  • Online ISBN: 978-1-4613-1783-8

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics