Using NMR spectroscopy to Investigate Structure and Dynamics of Organic and Organometallic Compounds

Information about the three dimensional structure of organic or organometallic
compounds can improve our understanding of their function.

Residual dipolar couplings (RDCs), which belong to the class of anisotropic NMRparameters,
can yield information complementary to 3J couplings and NOE parameters and
are thus useful restraints in the determination of the three dimensional structure. RDCs allow
the assignment of diastereotopic protons, the determination of relative configurations even in
the presence of (a limited degree of) motion or the determination of (ensembles of)
conformations. In contrast to conventional NMR-parameters RDCs contain global
information.

The prerequisites and limits for using RDCs on organic compounds (including new
alignment media, methods to treat flexibility, etc.) will be discussed. An overview of the use
of RDCs for organic structure determination will be given and their complementarity with
other NMR parameters will be discussed on selected examples of moderately flexible
compounds.