S. Dusold et A. Sebald, Magnitudes and orientations of NMR interaction tensors in isolated three-spin systems ABX, MOLEC PHYS, 95(6), 1998, pp. 1237-1245
Possibilities and limitations for the complete determination of all orienta
tional parameters from iterative fitting of various MAS NMR spectra of ABX
three-spin systems are explored. The practical example chosen is the (P-31)
(2) Cd-113 ABX spin system in solid Cd(NO3)(2). 2PMe(2)Ph, where Cd-113 is
an X nucleus of low natural abundance. Conventional P-31 and Cd-113 MAS NMR
spectra, plus Cd-113 MAS NMR spectra obtained under conditions of either s
imultaneous high power P-31 and H-1 decoupling, or under conditions of P-31
rotary resonance recoupling are considered. Considerable anisotropy of the
heteronuclear J coupling (1)J(Cd-113, P-31) is observed.