Determination of the rotation-diffusion tensor orientation from NMR 13C-1H cross-relaxation rates
Titel:
Determination of the rotation-diffusion tensor orientation from NMR 13C-1H cross-relaxation rates
Auteur:
WALKER, O. MUTZENHARDT, P. HALOUI, E. BOUBEL, J.-C. CANET, D.
Verschenen in:
Molecular physics
Paginering:
Jaargang 100 (2002) nr. 17 pagina's 2755-2761
Jaar:
2002-09-10
Inhoud:
Taking advantage of the fact that α,α,2,6 tetrachlorotoluene possesses only one symmetry element (the aromatic ring plane), it proved possible to measure seven different 13C-1H cross-relaxation rates which enable one to determine the three rotation-diffusion coefficients (Dxx, Dyy, Dzz), in addition to the orientation of the relevant principal axis system (PAS) with respect to a chosen molecular axis system. It turns out that molecular reorientation is strongly anisotropic and that the rotation-diffusion PAS cannot be directly correlated with electrical molecular properties.