ANISOTROPY OF MOLECULAR-REORIENTATION AND GEOMETRICAL INFORMATION AS DETERMINED FROM SHORT AND LONG-RANGE C-13-H-1 SPIN CROSS-RELAXATION RATES

This study deals with all available C-13-H-1 cross-relaxation rates in a rigid medium size molecule including short range tone bond) and rem ote (long range) dipolar interactions. They are obtained by the hetero nuclear Overhauser effect spectroscopy (HOESY) experiment modified in such a way that correlations between equivalent sites becomes accessib le. It is shown that the whole set of data provides not only the three rotational diffusion elements characterizing a fully anisotropic reor ientation but also some interatomic distances which can be compared wi th those determined from quantum chemistry calculations and/or from cr ystallographic data.