Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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The Pseudocontact Shift for a $3d^9$ System in a Strong Crystal Field Environment of Tetragonally Distorted Tetrahedral Symmetry

  • Kim, Dong-Hee (Department of Chemistry, Kunsan National University) ;
  • Lee, Kee-Hag (Department of Chemistry, Won Kwang University)
  • Published : 1991.12.20
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Abstract

A general expression adopting a nonmultipole expansion method is derived for pseudocontact contribution to the NMR chemical shift arising from the electron orbital angular momentum and electron spin dipolar-nuclear spin angular momentum interaction of $3d^9$ system in a strong crystal field of tetragonally distorted tetrahedral symmetry. From this expression all the multipolar term are determined and the exact solution of ${\Delta}$B/B(ppm) is compared with the multipolar term. The $1/R^5$ term in the multipolar terms contributes dominantly to the NMR chemical shift but the other terms are certainly significant except that of the <111> axis. In addition, an analysis of the temperature dependence of the NMR chemical shift further illustrates that considerable care must be taken in interpeting NMR results in paramagnetic system.

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References

  1. Proc. Roy. Soc. London Ser. v.A354 R. M. Golding;L. C. Stubbs
  2. Mol. Phys. v.31 R. M. Golding;J. R. McDonald
  3. J. Magn. Reson. v.33 R. M. Golding;L. C. Stubbs
  4. Bull. Korean Chem. Soc. v.6 S. Ahn;D. H. Kim;E. Park
  5. J. Magn. Reson. v.68 S. Ahn;K. H. Lee
  6. Bull. Korean Chem. Soc. v.4 S. Ahn;S. W. Oh;E. Park
  7. Proc. Roy. Soc. v.A362 R. M. Golding;L. C. Stubbs
  8. Bull. Korean Chem. Soc. v.5 S. Ahn;E. Park;S. W. Oh
  9. Bull. Korean Chem. Soc. v.7 S. Ahn;S. W. Oh;J. S. Ko
  10. Bull. Korean Chem. Soc. v.6 S. Ahn;S. W. Oh;H. H. Yang
  11. J. Magn. Reson. v.46 R. M. Golding;R. O. Pascual;S. Ahn
  12. J. Magn. Reson. v.58 R. M. Golding;R. O. Pascual;I. C. Hoase
  13. J. Mol. Spectroscopy v.2 C. J. Ballhausen;A. D. Liehr
  14. Bull. Korean Chem. Soc. v.7 S. Ahn;S. W. Oh;S. W. Ro
  15. J. Chem. Phys. v.37 R. M. Pitzer;C. W. Kern;W. N. Lipscomb
  16. Operator Methods in Ligand Field Theory H. Watanabe
  17. J. Magn. Reson. v.71 S. Ahn;S. W. Oh
  18. Multiplets of Transition Metal Ions in Crystals Sugano, Y. Tanabe;H. Kamimura
  19. J. Chem. Soc., (A) M. Gerloch