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 Pure Appl. Chem., Vol. 69, No. 12, pp. 2489-2495, 1997.

PHYSICAL CHEMISTRY DIVISION

COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY

Parameters and Symbols for Use in Nuclear Magnetic Resonance

(IUPAC Recommendations 1997)

FOOTNOTES

1. Note that confusion might arise when the so-called alphabet expansion is used for D, since this includes a term D which is not the dipolar coupling constant.
   
   
2. M rather than m is frequently recommended, but most NMR practitioners use m so as to avoid confusion with magnetization.
   
   
3. Whereas earlier IUPAC recommendations give a definition of d which requires that the "unit" ppm is not stated when values are quoted, this is largely ignored and a change of recommendation is under consideration.
   
   
4. z = 2Ds / 3
   
   
5. The symbols s (and related terms for components), s_j,
   s_||, s should refer to shielding on an absolute scale (for theoretical work). For shielding relative to a reference, symbols such as s_|| - s_ref should be used.
   
   
6. For tensors, doubled subscript capital letters X, Y and Z should generally be used for principal components,
   e.g. s_XX , s_YY and s_ZZ for shielding. Alternatively, numerical subscripts may be used (e.g. s₁₁ , s₂₂ , s₃₃)
   
   
7. The symbol k may also be used for magnetic susceptibility, some authors reserving c for unrationalised units.

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