Multidimensional NQR Spectroscopy - A New Tool in Studies of Molecular Dynamics

Two-dimensional exchange $\text{}^{35}$Cl nuclear quadrupole resonance spectroscopy for studies of the CCl$\text{}_{3}$-group reorientation processes in hexachloroethane and chloral hydrate has been applied. Experimental results were interpreted on the basis of the 2D exchange nuclear quadrupole resonance theory, which takes into account the off-resonance irradiation. It has been demonstrated that 2D nuclear quadrupole resonance exchange spectroscopy is appropriate for quantitative studies of exchange processes in molecular crystals containing quadrupolar nuclei. The method is of particular value for the detection of exchange networks in systems with many sites. Thus, detailed information on the exchange pathways within a network of structural isomers can be deduced and a proper assignment of the nuclear quadrupole resonance lines can be made. Temperature dependence of the exchange rate was studied. The mixing dynamics by exchange and the expected cross-peak intensities have been derived.