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NMR Chemical Shift for 4d$^n$ Systems (Ⅰ). Evaluation of the Required Hyperfine Integrals

  • Sang-woon Ahn (Department of Chemistry, Jeonbug National University) ;
  • Hyuck-Choon Suh (Department of Chemistry, Jeonbug National University) ;
  • Kee-Hag Lee (Deaprtment of Chemistry, Won Kwang University)
  • Published : 1983.02.20

Abstract

The hyperfine integrals for 4d orbitals have been evaluated adopting a general method which is applicable to a general vector, R, pointing arbitrary direction in space. The operator and the spherical harmonic part of 4d orbitals are expressed in terms of R and r$_{N}$ and the exponential part, r$^{2}$exp(-2${\beta}$r), of 4d orbitals is also translated as a function of R and r$_{N}$ and then integration is performed. The radial integrals for 4d orbitals are tabulated in analytical forms. The hyperfine integrals for 4d orbitals are also represented in analytical forms, using the specific formulas of radial series which we found.

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References

  1. J. Magn. Reson. v.33 R. M. Golding;L. C. Stubbs
  2. Ph. D. The University of New South Wales L. C. Stubbs
  3. Proc. Roy. Soc. v.A354 R. M. Golding;L. C. Stubbs
  4. Mol. Phys. v.2 A. D. McConnel;Strathdee
  5. J. Chem. Phys. v.37 R. M. Pitzer;C. W. Kein;W. N. Lipscomb
  6. J. Chem. Phys. v.47 E. Clementi;D. L. Raymondi;W. P. Reinhardt
  7. Nucl. Phys. v.13 M. Moshirsky
  8. J. Korean Chem. Soc. v.23 S. W. Oh;S. Ahn
  9. 3-i and 6-i symbols M. Rotenberg
  10. Angular Momentum in Quantum Mechanics A. R. Edmond