Source Attribution of the Chemical Warfare Agent Soman Using Position-Specific Isotope Analysis by 2H NMR Spectroscopy: From Precursor to Degradation Product
Abstract Recent developments, focussing on reduction of the rf excitation power by stochastic excitation, on improvements in sensitivity and excitation bandwidth by magic angle spinning, and on combining wideline spectroscopy with spatial resolution for investigations o f spatially inhomogeneous objects are reviewed.
AbstractThe density matrix formalism is used to simulate motional averaging in the 2H-NMR spectra of reorienting ND+4 ions. The development of the spectra under increasing jump frequency about a single C3 or C2 axis is followed. Next we assume a hierarchy of axes in terms of activation energies sufficient to reach extreme narrowing conditions for some axes before activating jumps about a next one. Primary reorientations about the fastest C3 or C2 symmetry axes define the shape of spectra, the width of which is then stepwise reduced by fast reorientations about the subsequent axes in a postulated sequence of statistically uncorrelated jumps.