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CP: Chemische Physik
CP 12: Spektroskopie von Molekülen und Kristallen
CP 12.7: Poster
Tuesday, March 10, 1998, 18:00–20:00, P1
Magnitudes and Orientations of Interaction Tensors in Isolated Nuclear Three-Spin Systems — •Stephan Dusold and Angelika Sebald — Bayerisches Geoinstitut, Universität Bayreuth
Numerically exact spectral lineshape simulations of straightforward
MAS NMR spectra of polycrystalline powder samples containing isolated
two- or three-spin systems yield unambiguous determination of
magnitudes and orientations of all interaction tensors within the spin
system. A necessary prerequisite is the evaluation of the spin dynamics
under the complete, periodically time-dependent Hamiltonian.
Experimental and simulated spectra for isolated three-spin systems ABX
(31P)2113Cd in polycrystalline solid compounds
(R3P)2CdX2 are presented as representative examples.
We will consider standard 31P and 113Cd MAS NMR
spectra as well as various 1H−31P−113Cd triple
resonance MAS NMR experiments, and we will discuss reliable strategies
for complete characterization of three-spin systems from combining MAS
NMR techniques with numerically exact spectral lineshape simulations.