Ce. Hughes et al., NMR EXCITATION OF QUADRUPOLAR ORDER USING ADIABATIC DEMAGNETIZATION IN THE ROTATING-FRAME, The Journal of chemical physics, 108(3), 1998, pp. 876-889
Adiabatic demagnetization and remagnetization in the rotating frame (A
DRF and ARRF) are shown to be practical and efficient techniques for e
xciting and observing quadrupolar order, T-2,T-0, in NMR of quadrupola
r nuclei such as H-2 or Na-23. A detailed theoretical description of A
DRF and ARRF of spin I=1 and 3/2 nuclei. based on the well-known vecto
r model of NMR, is presented and used to derive analytically a variety
of pulse shapes for ADRF and ARRF. This theory is also used to calcul
ate the state of the spin I=1 and 3/2 density operators following an A
DRF or ARRF pulse and it is shown that the desired coherence transfer
processes have the maximum amplitudes allowed by the well-known ''univ
ersal bound'' theorem. In principle, therefore, ADRF is shown to be su
perior as a method of exciting quadrupolar order to the Jeener-Broekae
rt experiment since the latter fails to excite the maximum T-2,T-0 amp
litude for spin I=3/2 nuclei. The performance of ADRF is investigated
using computer calculations and simulations and the conditions under w
hich it yields broadband (i.e., non-oscillatory) excitation of quadrup
olar order are derived. Using both H-2 (I=1) and Na-23 (I=3/2) NMR of
liquid crystalline and biological samples, ADRF and ARRF rut demonstra
ted experimentally. The predicted broadband excitation behavior is obs
erved far both ADRF and ARRF, whereas both the Jeener-Broekaert and do
uble-quantum filtration experiments show excitation profiles that osci
llate sinusoidally as a function of either the quadrupolar splitting p
arameter, omega(Q), or the duration of the pulse sequence, tau. Finall
y, a more general discussion of ADRF and ARRF of quadrupolar nuclei is
presented and it is shown that the maximum coherence transfer amplitu
des are achieved for nuclei of any spin quantum number I. (C) 1998 Ame
rican Institute of Physics. [S0021-9606(98)00103-2].