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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)

a or A Hyperfine (electron-nucleus) coupling constant
Aq(l,m) The mth component of an irreducible tensor of order l representing the nuclear spin operator for an interaction of type q
B Magnetic field (strictly the magnetic flux density or magnetic induction)
B0 Static magnetic field of an NMR spectrometer
B1, B2 Radiofrequency magnetic fields associated with frequencies v1, v2
BL Local magnetic field (components BxL , ByL , BzL ) of random field or dipolar origin
C Spin-rotation interaction tensor
CX Spin-rotation coupling constant of nuclide X
D Dipolar interaction tensor
D Dipolar coupling constant between two nuclei (say 1 and 2), (m0/4p)g1g2(h/4p2)r12-3, in frequency units (footnote 1).
DC Nuclear receptivity relative to that of the carbon-13 nucleus
Dp Nuclear receptivity relative to that of the proton (hydrogen-1 nucleus)
E Electric field strength
F Spectral width
F1, F2
(or f1, f2)
The two frequency dimensions of a two-dimensional spectrum (use F3 etc. for higher orders)

Nuclear spin operator for a group, G, of nuclei (components )

FG Magnetic quantum number associated with
g Nuclear or electronic g factor (Landé splitting factor)
G Magnetic field gradient amplitude
Hij Element of matrix representation of Hamiltonian operator (in energy units); subscripts indicate the nature of the operator
Nuclear spin operator for nucleus j
(components )
'Raising' and 'lowering' spin operators for nucleus j
Ij Magnetic quantum number associated with
J Indirect coupling tensor
nJ Nuclear spin-spin coupling constant through n bonds (usually given in frequency units) Parentheses may be used (for example) to indicate the species of nuclei coupled, e.g. J(13C, 1H) or, additionally, the coupling path, e.g. J(POCF). Where no ambiguity arises, the elements involved can be, alternatively, given as subscripts, e.g. JCH. The nucleus of higher mass should be given first
J(w) Spectral density of fluctuations at angular frequency w. Subscripts and superscripts to J may be used to indicate the relevant quantum number change (0, 1 or 2) or the order and component of the relevant tensor quantities.
nK Reduced nuclear spin-spin coupling constant (see the notes concerning nJ), Kjk = 4p2 Jjk / hgj gk
L Angular momentum
mj Eigenvalue of (magnetic component quantum number) (footnote 2)
mtot Total magnetic component number for a spin system (eigenvalue of ) (footnote 2)
mtot(X) Total magnetic component quantum number for X-type nuclei (footnote 2)
M0 Equilibrium macroscopic magnetization per volume of a spin system in the presence of B0
Mx , My , Mz Components of macroscopic magnetization per volume
Mn nth moment of spectrum (M2 = second moment, etc.)
na , nb Populations of the a and b spin states
N Total number of nuclei of a given type per volume in the sample
q Electric field gradient tensor in units of the elementary charge (principal components qXX, qYY, qZZ) (see also V)
Q eQ is the nuclear quadrupole moment, where e is the elementary charge
R1X Spin-lattice (longitudinal) relaxation rate constant for nucleus X
R2X Spin-spin (transverse) relaxation rate constant for nucleus X
R1rX Spin-lattice relaxation rate constant in the rotating frame for nucleus X
S Signal intensity
Electron (or, occasionally, nuclear) spin operator; cf.
t1, t2 Time dimensions for two-dimensional NMR
Tc Coalescence temperature for signals in an NMR spectrum
T1X Spin-lattice (longitudinal) relaxation time of the X nucleus (further subscripts refer to the relaxation mechanism)
T2X Spin-spin (transverse) relaxation time of the X nucleus (further subscripts refer to the relaxation mechanism)
T2* Net dephasing time for Mx or My (including contribution from magnetic field inhomogeneity)
T1rX Spin-lattice relaxation time of the X nucleus in the frame of reference rotating with B1
Td Pulse (recycle) delay
Tac Acquisition time
Tq(l,m) The mth component of an irreducible tensor of order l representing the strength of an interaction of type q
V Electric field gradient tensor. V = eq, where e is the elementary charge
Vab Elements of Cartesian electric field gradient tensor
W0, W1, W2 Relaxation rate constants (transition probabilities per time) between energy levels differing by 0, 1, and 2 (respectively) in mtot; especially, but not uniquely, for systems of two spin -1/2 nuclei
Wrs Transition probability between spin states r and s

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