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Polynomial coefficients. Application to spin-spin splitting by N equivalent nuclei of spin I > 1/2.

Charles L Perrin
Published in: Magnetic resonance in chemistry : MRC (2018)
The NMR intensity pattern of a nucleus split by N identical nuclei of spin 1/2 is given by the binomial coefficients. These are conveniently obtained from Pascal's triangle, equivalent to the chemist's branching diagram. Much less well-known is the pattern from splitting by N identical nuclei of spin I > 1/2. This was originally presented in terms of multinomial coefficients, but polynomial coefficients are more convenient. These describe the number of ways that N objects can be distributed to 2I + 1 numbered boxes. They arise in the polynomial expansion and are conveniently obtained from generalizations of Pascal's triangle. Examples and predictions are given.
Keyphrases
  • room temperature
  • density functional theory
  • single molecule
  • transition metal
  • magnetic resonance
  • molecular dynamics
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  • mass spectrometry
  • monte carlo